2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid

C10H10F2O3 — CID 23022300

IUPAC2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)Cc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-2,4,7,13H,3,5H2,(H,14,15)
InChIKeyMAOLQUIRLRHQRV-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.20
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid

2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid (PubChem CID 23022300) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
PubChem CID23022300
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)Cc1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-2,4,7,13H,3,5H2,(H,14,15)
InChIKeyMAOLQUIRLRHQRV-UHFFFAOYSA-N
XLogP1.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
(2R)-2-cyano-3-(2,4-difluorophenyl)propanoic acid
CID 129353721
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-bromo-3-(2,4-difluorophenyl)propanamide
CID 104512951
(2S)-2-(2,4-difluorophenyl)-3-hydroxypropanoic acid
CID 171716727
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)propanoic acid
CID 102616907
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
(2S,4S)-4-[(2,4-difluorophenyl)methyl]-2-isocyano-5-oxo-5-phenylmethoxypentanoic acid
CID 141067667

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid (CID 23022300) is 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid is O=C(O)C(CO)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid?
The InChIKey is MAOLQUIRLRHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-2,4,7,13H,3,5H2,(H,14,15).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid?
2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid has a molecular weight of 216.18 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 23022300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).