1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one

C15H18F3NO — CID 79547050

IUPAC1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO/c1-11(20)9-14-3-2-8-19(14)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,14H,2-3,8-10H2,1H3
InChIKeyMRPPGCSVLGLLKI-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.65
Rot. Bonds4

About 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one

1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one (PubChem CID 79547050) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
PubChem CID79547050
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO/c1-11(20)9-14-3-2-8-19(14)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,14H,2-3,8-10H2,1H3
InChIKeyMRPPGCSVLGLLKI-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one (CID 79547050) is 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one?
The InChIKey is MRPPGCSVLGLLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-11(20)9-14-3-2-8-19(14)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one?
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one has a molecular weight of 285.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79547050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).