CAS 1730-23-0|(4Z)-5-chloro-4,5-difluoropenta-1,4-diene|(4Z)-5-chloro-4,5-difluoropenta-1,4-diene|1-Chloro-1,2-difluoro-1,4-pentadiene|1-Chloro-1,2-difluoropenta-1,4-diene|1-chloro-1,2-difluoropenta...

General Information

Structure

Molecular Formula

C₅H₅ClF₂

Molecular Mass

138.5430064

Exact Mass

138.00478428

Charge

InChI

InChI=1S/C5H5ClF2/c1-2-3-4(7)5(6)8/h2H,1,3H2/b5-4+

InChIKey

DNVLBCKCKFFSTP-SNAWJCMRSA-N

Canonic Smiles

F/C(=C(\Cl)/F)/CC=C

Isomeric Smiles

C(=C(\CC=C)/F)(\F)/Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1648452

LogD (pH = 7.4)

2.1648452

Log P

2.1648452

Molar Refractivity

40.9418

Polarizability

10.929065

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(4Z)-5-chloro-4,5-difluoropenta-1,4-diene 1-chloro-1,2-difluoropenta-1,4-diene

IUPAC name

(4Z)-5-chloro-4,5-difluoropenta-1,4-diene 1-chloro-1,2-difluoropenta-1,4-diene

Synonyms

1-Chloro-1,2-difluoro-1,4-pentadiene1-Chloro-1,2-difluoropenta-1,4-diene

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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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

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• CAS Number

Properties

• Product Information

• Physical Property

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:11873