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

C13H14F3NO — CID 2411573

IUPAC2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CN1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-5-3-4-10(8-11)12(18)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2
InChIKeyFDPLUJVQKLJABW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.98
Rot. Bonds3

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

2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 2411573) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID2411573
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CN1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-5-3-4-10(8-11)12(18)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2
InChIKeyFDPLUJVQKLJABW-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone (CID 2411573) is 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(CN1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FDPLUJVQKLJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-5-3-4-10(8-11)12(18)9-17-6-1-2-7-17/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone?
2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 257.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 2411573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).