2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid

C15H12F3NO2 — CID 60994733

IUPAC2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NO2/c1-15(14(20)21,9-6-7-10(16)12(18)8-9)19-13-5-3-2-4-11(13)17/h2-8,19H,1H3,(H,20,21)
InChIKeyUMVVPGGOBOPWCX-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.52
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid

2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid (PubChem CID 60994733) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
PubChem CID60994733
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccccc1F)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NO2/c1-15(14(20)21,9-6-7-10(16)12(18)8-9)19-13-5-3-2-4-11(13)17/h2-8,19H,1H3,(H,20,21)
InChIKeyUMVVPGGOBOPWCX-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-(2-fluoroanilino)propanoic acid
CID 60993618
2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994863
2-(5-bromo-2-fluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 82955939
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-(4-cyano-2-fluoroanilino)-2-phenylpropanoic acid
CID 62489235
2-(2-fluoroanilino)-2,3-dimethylbutanoic acid
CID 62487925
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
[2-(3,4-difluorophenyl)-1-(2-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 150966890
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid (CID 60994733) is 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid is CC(Nc1ccccc1F)(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid?
The InChIKey is UMVVPGGOBOPWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-15(14(20)21,9-6-7-10(16)12(18)8-9)19-13-5-3-2-4-11(13)17/h2-8,19H,1H3,(H,20,21).
What are the key properties of 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid?
2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid has a molecular weight of 295.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid is sourced from PubChem (CID 60994733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).