CAS 20445-33-4|CAS 39637-99-5|(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride|(S)-(+)-α-Methoxy-α-trifluoromethylphenylacetyl chloride|(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpr...

General Information

Structure

Molecular Formula

C₁₀H₈ClF₃O₂

Molecular Mass

252.6175296

Exact Mass

252.01649184

Charge

InChI

InChI=1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m1/s1

InChIKey

PAORVUMOXXAMPL-SECBINFHSA-N

Canonic Smiles

CO[C@](C(F)(F)F)(c1ccccc1)C(=O)Cl

Isomeric Smiles

c1cccc(c1)[C@@](C(=O)Cl)(C(F)(F)F)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.1033459

LogD (pH = 7.4)

3.1033459

Log P

3.1033459

Molar Refractivity

52.7283

Polarizability

19.83953

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

IUPAC name

(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride

Synonyms

(S)-(+)-α-Methoxy-α-trifluoromethylphenylacetyl chloride(R)-(-)-MTPACl(2R)-(-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropanoyl chloride 99% (99%ee)(R)-(-)-Mosher's acid chloride(2R)-(-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropionyl chloride(S)-(+)-Mosher's acid chloride(S)-(+)-α-甲氧基-α-(三氟甲基)苯乙酰氯(S)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride(S)-(+)-MTPA-Cl

Names and Identifiers

Registration numbers

MDL Number

MFCD00067105MFCD00044400

CAS Number

Merck Index

Beilstein Number

PubChem SID