2-[3-(2,2-difluoroethyl)phenyl]propanoic acid

C11H12F2O2 — CID 84680241

IUPAC2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(CC(F)F)c1
InChIInChI=1S/C11H12F2O2/c1-7(11(14)15)9-4-2-3-8(5-9)6-10(12)13/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyPCHNWSKSKKCXRS-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.68
Rot. Bonds4

About 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid

2-[3-(2,2-difluoroethyl)phenyl]propanoic acid (PubChem CID 84680241) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
PubChem CID84680241
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1cccc(CC(F)F)c1
InChIInChI=1S/C11H12F2O2/c1-7(11(14)15)9-4-2-3-8(5-9)6-10(12)13/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyPCHNWSKSKKCXRS-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84691838
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2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
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2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
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2-[3-[(2-hydroxyethylamino)methyl]phenyl]propanoic acid;oxalic acid
CID 67389415
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
4-amino-4-[3-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359454
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-[3-[(5-bromothiophen-2-yl)methyl]phenyl]propanoic acid
CID 84606441

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid (CID 84680241) is 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid is CC(C(=O)O)c1cccc(CC(F)F)c1.
What is the InChIKey of 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid?
The InChIKey is PCHNWSKSKKCXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(11(14)15)9-4-2-3-8(5-9)6-10(12)13/h2-5,7,10H,6H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid?
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid has a molecular weight of 214.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethyl)phenyl]propanoic acid is sourced from PubChem (CID 84680241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).