2-(2,3-difluorophenyl)acetic acid;hydrochloride

C8H7ClF2O2 — CID 172702403

IUPAC2-(2,3-difluorophenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccc(F)c1F
InChIInChI=1S/C8H6F2O2.ClH/c9-6-3-1-2-5(8(6)10)4-7(11)12;/h1-3H,4H2,(H,11,12);1H
InChIKeyDDEAEDHOEFIIET-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.01
Rot. Bonds2

About 2-(2,3-difluorophenyl)acetic acid;hydrochloride

2-(2,3-difluorophenyl)acetic acid;hydrochloride (PubChem CID 172702403) has the molecular formula C8H7ClF2O2 and a molecular weight of 208.59 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)acetic acid;hydrochloride
PubChem CID172702403
Molecular FormulaC8H7ClF2O2
Molecular Weight208.59 g/mol
Exact Mass208.01
IUPAC Name2-(2,3-difluorophenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccc(F)c1F
InChIInChI=1S/C8H6F2O2.ClH/c9-6-3-1-2-5(8(6)10)4-7(11)12;/h1-3H,4H2,(H,11,12);1H
InChIKeyDDEAEDHOEFIIET-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,3-difluorophenyl)acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
1-chloro-3-(2,3-difluorophenyl)-1,1-difluoropropan-2-one
CID 112574814
2-(3-fluoro-2-phenylphenyl)acetic acid
CID 46314797
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)acetic acid;hydrochloride?
The IUPAC name of 2-(2,3-difluorophenyl)acetic acid;hydrochloride (CID 172702403) is 2-(2,3-difluorophenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2,3-difluorophenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2,3-difluorophenyl)acetic acid;hydrochloride is Cl.O=C(O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)acetic acid;hydrochloride?
The InChIKey is DDEAEDHOEFIIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2.ClH/c9-6-3-1-2-5(8(6)10)4-7(11)12;/h1-3H,4H2,(H,11,12);1H.
What are the key properties of 2-(2,3-difluorophenyl)acetic acid;hydrochloride?
2-(2,3-difluorophenyl)acetic acid;hydrochloride has a molecular weight of 208.59 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 172702403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).