2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid

C15H12F3NO2 — CID 115527074

IUPAC2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1cccc(C(F)F)c1
InChIInChI=1S/C15H12F3NO2/c16-11-6-1-2-7-12(11)19-13(15(20)21)9-4-3-5-10(8-9)14(17)18/h1-8,13-14,19H,(H,20,21)
InChIKeyLOZSOVIGQUOYCX-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.00
Rot. Bonds5

About 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid

2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid (PubChem CID 115527074) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
PubChem CID115527074
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1cccc(C(F)F)c1
InChIInChI=1S/C15H12F3NO2/c16-11-6-1-2-7-12(11)19-13(15(20)21)9-4-3-5-10(8-9)14(17)18/h1-8,13-14,19H,(H,20,21)
InChIKeyLOZSOVIGQUOYCX-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516
2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
CID 103249643
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
CID 61347771
2-[2-(difluoromethylsulfanyl)anilino]-2-phenylacetic acid
CID 103232609
2-[3-(difluoromethyl)phenyl]-2-(prop-2-enylamino)acetic acid
CID 115527096

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid (CID 115527074) is 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid is O=C(O)C(Nc1ccccc1F)c1cccc(C(F)F)c1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid?
The InChIKey is LOZSOVIGQUOYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-11-6-1-2-7-12(11)19-13(15(20)21)9-4-3-5-10(8-9)14(17)18/h1-8,13-14,19H,(H,20,21).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid?
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid has a molecular weight of 295.26 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid is sourced from PubChem (CID 115527074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).