2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid

C9H7F3O3 — CID 117313687

IUPAC2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C9H7F3O3/c10-6-3-4(7(13)9(14)15)1-2-5(6)8(11)12/h1-3,7-8,13H,(H,14,15)
InChIKeyIIDBJOVRLUYVAW-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.88
Rot. Bonds3

About 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid

2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 117313687) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
PubChem CID117313687
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C9H7F3O3/c10-6-3-4(7(13)9(14)15)1-2-5(6)8(11)12/h1-3,7-8,13H,(H,14,15)
InChIKeyIIDBJOVRLUYVAW-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)-4,5-difluorophenyl]-2-hydroxyacetic acid
CID 131574789
2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 117307670
2-[3-(3-bromopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 135740762
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
2-[3-(difluoromethyl)-2,6-difluorophenyl]-2-hydroxyacetic acid
CID 119013695
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-[3-(difluoromethyl)-4-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656671
2-[4-(3-chloro-2-oxopropyl)-3-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118812674
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
2-[4-(2,4-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633775
2-[4-(3,5-dichlorophenyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134633828
2-[4-(2-chloropropanoyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 134657139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid (CID 117313687) is 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(C(F)F)c(F)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is IIDBJOVRLUYVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-6-3-4(7(13)9(14)15)1-2-5(6)8(11)12/h1-3,7-8,13H,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid?
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 220.15 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117313687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).