2-[2-(2,2-difluoropropyl)phenyl]acetic acid

C11H12F2O2 — CID 84680236

IUPAC2-[2-(2,2-difluoropropyl)phenyl]acetic acid
SMILESCC(F)(F)Cc1ccccc1CC(=O)O
InChIInChI=1S/C11H12F2O2/c1-11(12,13)7-9-5-3-2-4-8(9)6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyKXBWJIOQPSYGLG-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.51
Rot. Bonds4

About 2-[2-(2,2-difluoropropyl)phenyl]acetic acid

2-[2-(2,2-difluoropropyl)phenyl]acetic acid (PubChem CID 84680236) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[2-(2,2-difluoropropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-difluoropropyl)phenyl]acetic acid
PubChem CID84680236
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-[2-(2,2-difluoropropyl)phenyl]acetic acid
SMILESCC(F)(F)Cc1ccccc1CC(=O)O
InChIInChI=1S/C11H12F2O2/c1-11(12,13)7-9-5-3-2-4-8(9)6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyKXBWJIOQPSYGLG-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,2-difluoropropyl)phenyl]-3-methylbutanoic acid
CID 117394032
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
CID 115462619
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
CID 117453717
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
3-[2-(2-fluoropropan-2-yl)phenyl]propanoic acid
CID 84677751
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
2-(2-propylphenyl)acetic acid
CID 46897017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoropropyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,2-difluoropropyl)phenyl]acetic acid (CID 84680236) is 2-[2-(2,2-difluoropropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-difluoropropyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,2-difluoropropyl)phenyl]acetic acid is CC(F)(F)Cc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2,2-difluoropropyl)phenyl]acetic acid?
The InChIKey is KXBWJIOQPSYGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-11(12,13)7-9-5-3-2-4-8(9)6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2,2-difluoropropyl)phenyl]acetic acid?
2-[2-(2,2-difluoropropyl)phenyl]acetic acid has a molecular weight of 214.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoropropyl)phenyl]acetic acid is sourced from PubChem (CID 84680236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).