2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid

C9H8F2O4 — CID 117310466

IUPAC2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)F)cc1O
InChIInChI=1S/C9H8F2O4/c10-8(11)4-1-2-5(6(12)3-4)7(13)9(14)15/h1-3,7-8,12-13H,(H,14,15)
InChIKeyOKIQRCGQHHCXMO-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.45
Rot. Bonds3

About 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid

2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid (PubChem CID 117310466) has the molecular formula C9H8F2O4 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
PubChem CID117310466
Molecular FormulaC9H8F2O4
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(C(F)F)cc1O
InChIInChI=1S/C9H8F2O4/c10-8(11)4-1-2-5(6(12)3-4)7(13)9(14)15/h1-3,7-8,12-13H,(H,14,15)
InChIKeyOKIQRCGQHHCXMO-UHFFFAOYSA-N
XLogP1.45
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694286
2-[4-(1-bromo-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 118835510
2-[4-(difluoromethyl)-2-(3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656672
2-[2-(3-chloro-2-oxopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656721
1-chloro-1-[4-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394353
2-[2-(3-bromopropyl)-4-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118808378
2-(1-aminoethyl)-5-(difluoromethyl)phenol
CID 84660907
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-[4-(difluoromethyl)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117313687
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid (CID 117310466) is 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(C(F)F)cc1O.
What is the InChIKey of 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid?
The InChIKey is OKIQRCGQHHCXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4/c10-8(11)4-1-2-5(6(12)3-4)7(13)9(14)15/h1-3,7-8,12-13H,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid?
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid has a molecular weight of 218.16 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117310466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).