2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid

C11H10F3NO3 — CID 54926550

IUPAC2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)6-9(16)15(7-10(17)18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)
InChIKeyFRWUNSLPJFSEOC-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.06
Rot. Bonds4

About 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid

2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid (PubChem CID 54926550) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid
PubChem CID54926550
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)6-9(16)15(7-10(17)18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18)
InChIKeyFRWUNSLPJFSEOC-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
2-[N-(3-methylsulfonylpropanoyl)anilino]acetic acid
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2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-(N-[2-(prop-2-ynylamino)acetyl]anilino)acetic acid
CID 79287144
2-(N-[2-(cyanomethylsulfanyl)acetyl]anilino)acetic acid
CID 54926788
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
hydroxymethyl(phenyl)carbamic acid
CID 69165687
2-(4-hydroxy-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103018289
2-[N-(2-chloroacetyl)-4-(trifluoromethoxy)anilino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid (CID 54926550) is 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid is O=C(O)CN(C(=O)CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid?
The InChIKey is FRWUNSLPJFSEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-11(13,14)6-9(16)15(7-10(17)18)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,17,18).
What are the key properties of 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid?
2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid has a molecular weight of 261.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid is sourced from PubChem (CID 54926550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).