CAS 311-86-4|2-Bromo-3,3,3-trifluoropropan-1-ol|1-Bromo-1-(trifluoromethyl)-2-hydroxyethane|2-bromo-3,3,3-trifluoropropan-1-ol|2-bromo-3,3,3-trifluoropropan-1-ol|2-Bromo-1-hydroxy-3-(trifluoromethyl...

General Information

Structure

Molecular Formula

C₃H₄BrF₃O

Molecular Mass

192.9624696

Exact Mass

191.93976141

Charge

InChI

InChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2

InChIKey

FJNZCBUVTKMTNI-UHFFFAOYSA-N

Canonic Smiles

OCC(C(F)(F)F)Br

Isomeric Smiles

OCC(Br)C(F)(F)F

Calculated Properties

JChem

Acid pKa

14.197324

H Acceptors

H Donor

LogD (pH = 5.5)

1.3462714

LogD (pH = 7.4)

1.3462713

Log P

1.3462714

Molar Refractivity

25.7084

Polarizability

9.94216

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-Bromo-3,3,3-trifluoropropan-1-ol1-Bromo-1-(trifluoromethyl)-2-hydroxyethane2-Bromo-1-hydroxy-3-(trifluoromethyl)propane

IUPAC name

2-bromo-3,3,3-trifluoropropan-1-ol

IUPAC Traditional name

2-bromo-3,3,3-trifluoropropan-1-ol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• MDL Number

• CAS Number

• PubChem SID

• PubChem CID

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:99878