(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid

C9H8F2O3 — CID 171716727

IUPAC(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O3/c10-5-1-2-6(8(11)3-5)7(4-12)9(13)14/h1-3,7,12H,4H2,(H,13,14)/t7-/m1/s1
InChIKeyZYRDWHJXEZNLDA-SSDOTTSWSA-N
MW202.16 g/mol
LogP1.13
Rot. Bonds3

About (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid

(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid (PubChem CID 171716727) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
PubChem CID171716727
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](CO)c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O3/c10-5-1-2-6(8(11)3-5)7(4-12)9(13)14/h1-3,7,12H,4H2,(H,13,14)/t7-/m1/s1
InChIKeyZYRDWHJXEZNLDA-SSDOTTSWSA-N
XLogP1.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
CID 43803709
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
CID 23022300
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-(2-fluoro-4-methylphenyl)butanedioic acid
CID 165450976
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
(2,4-difluorophenyl)methanediol
CID 91089962
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid (CID 171716727) is (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid is O=C(O)[C@H](CO)c1ccc(F)cc1F.
What is the InChIKey of (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid?
The InChIKey is ZYRDWHJXEZNLDA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8F2O3/c10-5-1-2-6(8(11)3-5)7(4-12)9(13)14/h1-3,7,12H,4H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid?
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 171716727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).