3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid

C9H6F4O3 — CID 63667269

IUPAC3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)c1cccc(F)c1F
InChIInChI=1S/C9H6F4O3/c10-5-3-1-2-4(6(5)11)7(14)9(12,13)8(15)16/h1-3,7,14H,(H,15,16)
InChIKeyUTCPWUWFTFBXPM-UHFFFAOYSA-N
MW238.14 g/mol
LogP1.72
Rot. Bonds3

About 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid

3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid (PubChem CID 63667269) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
PubChem CID63667269
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)(F)C(O)c1cccc(F)c1F
InChIInChI=1S/C9H6F4O3/c10-5-3-1-2-4(6(5)11)7(14)9(12,13)8(15)16/h1-3,7,14H,(H,15,16)
InChIKeyUTCPWUWFTFBXPM-UHFFFAOYSA-N
XLogP1.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63989633
2,2,3-trifluoro-3-(2-fluorophenyl)propanoic acid
CID 105478777
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
2,2-difluoro-3-hydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 63075977
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
2,2-difluoro-3-hydroxy-3-[2-(2,2,2-trifluoroethoxycarbonyl)phenyl]propanoic acid
CID 167031714
(2,3-difluorophenyl)-hydroxymethanesulfonic acid
CID 103574207
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid (CID 63667269) is 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid is O=C(O)C(F)(F)C(O)c1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid?
The InChIKey is UTCPWUWFTFBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O3/c10-5-3-1-2-4(6(5)11)7(14)9(12,13)8(15)16/h1-3,7,14H,(H,15,16).
What are the key properties of 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid?
3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid has a molecular weight of 238.14 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 63667269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).