(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride

C8H7ClF2O3 — CID 70033662

IUPAC(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
SMILESCl.O=C(O)[C@@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H6F2O3.ClH/c9-5-1-4(2-6(10)3-5)7(11)8(12)13;/h1-3,7,11H,(H,12,13);1H/t7-;/m0./s1
InChIKeyKROMVYOMUVJPFA-FJXQXJEOSA-N
MW224.59 g/mol
LogP1.50
Rot. Bonds2

About (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride

(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride (PubChem CID 70033662) has the molecular formula C8H7ClF2O3 and a molecular weight of 224.59 g/mol. Its IUPAC name is (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
PubChem CID70033662
Molecular FormulaC8H7ClF2O3
Molecular Weight224.59 g/mol
Exact Mass224.01
IUPAC Name(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
SMILESCl.O=C(O)[C@@H](O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H6F2O3.ClH/c9-5-1-4(2-6(10)3-5)7(11)8(12)13;/h1-3,7,11H,(H,12,13);1H/t7-;/m0./s1
InChIKeyKROMVYOMUVJPFA-FJXQXJEOSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.59
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride
CID 93494359
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
CID 23345991
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
CID 131214006
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
(3,5-difluorophenyl)methanediol
CID 142893041
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride?
The IUPAC name of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride (CID 70033662) is (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride?
The canonical SMILES for (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride is Cl.O=C(O)[C@@H](O)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride?
The InChIKey is KROMVYOMUVJPFA-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H6F2O3.ClH/c9-5-1-4(2-6(10)3-5)7(11)8(12)13;/h1-3,7,11H,(H,12,13);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride?
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride has a molecular weight of 224.59 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride is sourced from PubChem (CID 70033662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).