2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid

C9H6F4O3 — CID 131574789

IUPAC2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c(F)c(C(F)F)c1
InChIInChI=1S/C9H6F4O3/c10-5-2-3(7(14)9(15)16)1-4(6(5)11)8(12)13/h1-2,7-8,14H,(H,15,16)
InChIKeySDPPODFNSACDDF-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid

2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid (PubChem CID 131574789) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
PubChem CID131574789
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c(F)c(C(F)F)c1
InChIInChI=1S/C9H6F4O3/c10-5-2-3(7(14)9(15)16)1-4(6(5)11)8(12)13/h1-2,7-8,14H,(H,15,16)
InChIKeySDPPODFNSACDDF-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 117307670
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
CID 131214006
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
CID 117470016
2-[3-(difluoromethyl)-2,6-difluorophenyl]-2-hydroxyacetic acid
CID 119013695
2-hydroxy-2-(3,4,5-trifluorophenyl)acetamide
CID 63076320
2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetic acid
CID 117317411
2-amino-3-hydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 66207167

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid (CID 131574789) is 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)c(F)c(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid?
The InChIKey is SDPPODFNSACDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O3/c10-5-2-3(7(14)9(15)16)1-4(6(5)11)8(12)13/h1-2,7-8,14H,(H,15,16).
What are the key properties of 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid?
2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid has a molecular weight of 238.14 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 131574789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).