2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid

C10H9F3O3 — CID 117339801

IUPAC2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
SMILESCC(F)(F)c1ccc(F)c(C(O)C(=O)O)c1
InChIInChI=1S/C10H9F3O3/c1-10(12,13)5-2-3-7(11)6(4-5)8(14)9(15)16/h2-4,8,14H,1H3,(H,15,16)
InChIKeyZVXCCTPNYKUSEM-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.06
Rot. Bonds3

About 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid

2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 117339801) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
PubChem CID117339801
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
SMILESCC(F)(F)c1ccc(F)c(C(O)C(=O)O)c1
InChIInChI=1S/C10H9F3O3/c1-10(12,13)5-2-3-7(11)6(4-5)8(14)9(15)16/h2-4,8,14H,1H3,(H,15,16)
InChIKeyZVXCCTPNYKUSEM-UHFFFAOYSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 84671373
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
(2R)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131586702
(2S)-2-[2-bromo-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131441152
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine
CID 117309170
2-[2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118807454
2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117332015
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
3-amino-3-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 84703787
2-[2-fluoro-5-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312557
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid (CID 117339801) is 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid is CC(F)(F)c1ccc(F)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is ZVXCCTPNYKUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-10(12,13)5-2-3-7(11)6(4-5)8(14)9(15)16/h2-4,8,14H,1H3,(H,15,16).
What are the key properties of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid?
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117339801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).