1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone

C13H14F3NO — CID 9462870

IUPAC1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-5-3-4-10(8-11)9-12(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2
InChIKeyLDONHNUKPXSKEW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.87
Rot. Bonds2

About 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone

1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 9462870) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID9462870
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-5-3-4-10(8-11)9-12(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2
InChIKeyLDONHNUKPXSKEW-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6839
N,N-Diethyl-2-phenylacetamide
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1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(3-trifluoromethyl-phenyl)-acetamide
CID 10249808
1-[(4-Trifluoromethylphenyl)acetyl]-2-(1-pyrrolidinylmethyl)piperidine
CID 14810960
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 4388725
1-[(3-Methylphenyl)acetyl]pyrrolidine
CID 6465185
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
Spiro-carboxamide scaffold, 7
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Spiro-carboxamide scaffold, 12
CID 44143298

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone (CID 9462870) is 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LDONHNUKPXSKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-5-3-4-10(8-11)9-12(18)17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone?
1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 257.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 9462870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).