3-(4-ethylphenyl)-2,2-difluoropropanoic acid

C11H12F2O2 — CID 116838202

IUPAC3-(4-ethylphenyl)-2,2-difluoropropanoic acid
SMILESCCc1ccc(CC(F)(F)C(=O)O)cc1
InChIInChI=1S/C11H12F2O2/c1-2-8-3-5-9(6-4-8)7-11(12,13)10(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyFGPNQCIWASZUIY-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.51
Rot. Bonds4

About 3-(4-ethylphenyl)-2,2-difluoropropanoic acid

3-(4-ethylphenyl)-2,2-difluoropropanoic acid (PubChem CID 116838202) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2,2-difluoropropanoic acid
PubChem CID116838202
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name3-(4-ethylphenyl)-2,2-difluoropropanoic acid
SMILESCCc1ccc(CC(F)(F)C(=O)O)cc1
InChIInChI=1S/C11H12F2O2/c1-2-8-3-5-9(6-4-8)7-11(12,13)10(14)15/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyFGPNQCIWASZUIY-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

2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(4-ethylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 70207197
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
4-ethylbenzoic acid;formaldehyde
CID 155718391
2,2-difluoro-3-(4-methylphenyl)propanoyl chloride
CID 105473373
2-ethoxycarbonyl-2-[(4-ethylphenyl)methyl]butanoic acid
CID 103974511
2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 116838286
2,2-difluoro-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116838287
2,2-difluoro-3-(2-methyl-1,3-benzoxazol-5-yl)propanoic acid
CID 116838289
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
2-bromo-3-[4-(2-bromo-2-carboxypropyl)phenyl]-2-methylpropanoic acid
CID 170340891
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(4-ethylphenyl)-2,2-difluoropropanoic acid (CID 116838202) is 3-(4-ethylphenyl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(4-ethylphenyl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(4-ethylphenyl)-2,2-difluoropropanoic acid is CCc1ccc(CC(F)(F)C(=O)O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2,2-difluoropropanoic acid?
The InChIKey is FGPNQCIWASZUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-8-3-5-9(6-4-8)7-11(12,13)10(14)15/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 3-(4-ethylphenyl)-2,2-difluoropropanoic acid?
3-(4-ethylphenyl)-2,2-difluoropropanoic 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 3-(4-ethylphenyl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 116838202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).