2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone

C14H16F4N2O — CID 143897284

IUPAC2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CCCN1C(=O)CNc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O/c1-9-3-2-4-20(9)13(21)8-19-12-6-10(14(16,17)18)5-11(15)7-12/h5-7,9,19H,2-4,8H2,1H3/t9-/m1/s1
InChIKeySLRLIOMHOKZFCP-SECBINFHSA-N
MW304.29 g/mol
LogP3.27
Rot. Bonds3

About 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone

2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone (PubChem CID 143897284) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
PubChem CID143897284
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CCCN1C(=O)CNc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O/c1-9-3-2-4-20(9)13(21)8-19-12-6-10(14(16,17)18)5-11(15)7-12/h5-7,9,19H,2-4,8H2,1H3/t9-/m1/s1
InChIKeySLRLIOMHOKZFCP-SECBINFHSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone (CID 143897284) is 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone is C[C@@H]1CCCN1C(=O)CNc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
The InChIKey is SLRLIOMHOKZFCP-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-9-3-2-4-20(9)13(21)8-19-12-6-10(14(16,17)18)5-11(15)7-12/h5-7,9,19H,2-4,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone?
2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone has a molecular weight of 304.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143897284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).