1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

C17H18F3NO — CID 167799782

IUPAC1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C23CC2C3)C1
InChIInChI=1S/C17H18F3NO/c1-15(11-3-2-4-12(7-11)17(18,19)20)5-6-21(10-15)14(22)16-8-13(16)9-16/h2-4,7,13H,5-6,8-10H2,1H3
InChIKeyLYRFADRQSVMCNJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.61
Rot. Bonds2

About 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone

1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (PubChem CID 167799782) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
PubChem CID167799782
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
SMILESCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C23CC2C3)C1
InChIInChI=1S/C17H18F3NO/c1-15(11-3-2-4-12(7-11)17(18,19)20)5-6-21(10-15)14(22)16-8-13(16)9-16/h2-4,7,13H,5-6,8-10H2,1H3
InChIKeyLYRFADRQSVMCNJ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 14649985
4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 152780099
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
tert-butyl 4-(acetyloxymethyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 91320906
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
3-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119256395

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone (CID 167799782) is 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)C23CC2C3)C1.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is LYRFADRQSVMCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-15(11-3-2-4-12(7-11)17(18,19)20)5-6-21(10-15)14(22)16-8-13(16)9-16/h2-4,7,13H,5-6,8-10H2,1H3.
What are the key properties of 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone?
1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 309.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167799782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).