2-[2,5-bis(difluoromethyl)phenyl]acetic acid

C10H8F4O2 — CID 67512727

IUPAC2-[2,5-bis(difluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)ccc1C(F)F
InChIInChI=1S/C10H8F4O2/c11-9(12)5-1-2-7(10(13)14)6(3-5)4-8(15)16/h1-3,9-10H,4H2,(H,15,16)
InChIKeyFKPIBEOWUKFDMR-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.19
Rot. Bonds4

About 2-[2,5-bis(difluoromethyl)phenyl]acetic acid

2-[2,5-bis(difluoromethyl)phenyl]acetic acid (PubChem CID 67512727) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[2,5-bis(difluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,5-bis(difluoromethyl)phenyl]acetic acid
PubChem CID67512727
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2-[2,5-bis(difluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)ccc1C(F)F
InChIInChI=1S/C10H8F4O2/c11-9(12)5-1-2-7(10(13)14)6(3-5)4-8(15)16/h1-3,9-10H,4H2,(H,15,16)
InChIKeyFKPIBEOWUKFDMR-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2,5-bis(difluoromethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(difluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2,5-bis(difluoromethyl)phenyl]acetic acid (CID 67512727) is 2-[2,5-bis(difluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,5-bis(difluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,5-bis(difluoromethyl)phenyl]acetic acid is O=C(O)Cc1cc(C(F)F)ccc1C(F)F.
What is the InChIKey of 2-[2,5-bis(difluoromethyl)phenyl]acetic acid?
The InChIKey is FKPIBEOWUKFDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c11-9(12)5-1-2-7(10(13)14)6(3-5)4-8(15)16/h1-3,9-10H,4H2,(H,15,16).
What are the key properties of 2-[2,5-bis(difluoromethyl)phenyl]acetic acid?
2-[2,5-bis(difluoromethyl)phenyl]acetic acid has a molecular weight of 236.16 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(difluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 67512727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).