CAS 774-73-2|CAS 94977-52-3|(2E)-3-(2,4-difluorophenyl)prop-2-enoic acid|(2E)-3-(2,4-difluorophenyl)prop-2-enoic acid|trans-2,4-Difluorocinnamic acid|trans-2,4-Difluorocinnamic acid|反式-2,4-二氟肉桂...

General Information

Structure

Molecular Formula

C₉H₆F₂O₂

Molecular Mass

184.1395464

Exact Mass

184.03358587

Charge

InChI

InChI=1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

InChIKey

PQDXPFJQTKGTFP-DUXPYHPUSA-N

Canonic Smiles

OC(=O)/C=C/c1ccc(cc1F)F

Isomeric Smiles

c1c(cc(c(c1)/C=C/C(=O)O)F)F

Calculated Properties

JChem

Acid pKa

3.3582761

H Acceptors

H Donor

LogD (pH = 5.5)

0.29407367

LogD (pH = 7.4)

-0.9915991

Log P

2.4214902

Molar Refractivity

43.4927

Polarizability

15.689477

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2E)-3-(2,4-difluorophenyl)prop-2-enoic acid 3-(2,4-difluorophenyl)prop-2-enoic acid

IUPAC Traditional name

(2E)-3-(2,4-difluorophenyl)prop-2-enoic acid 3-(2,4-difluorophenyl)prop-2-enoic acid

Synonyms

trans-2,4-Difluorocinnamic acidtrans-2,4-Difluorocinnamic acid反式-2,4-二氟肉桂酸2,4-Difluorocinnamic acid3-(2,4-Difluorophenyl)prop-2-enoic acid3-(2,4-Difluorophenyl)acrylic acidtrans-2,4-Difluorocinnamic acid 98%(2E)-3-(2,4-Difluorophenyl)prop-2-enoic acid(E)-3-(2,4-Difluorophenyl)acrylic acid(E)-3-(2,4-Difluorophenyl)acrylic acid3-(2,4-Difluorophenyl)acrylic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Beilstein Number