3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane

C19H24F3NO — CID 173110524

IUPAC3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)Oc1cccc(CCC2C3CN(C4CCCC4)CC23)c1
InChIInChI=1S/C19H24F3NO/c20-19(21,22)24-15-7-3-4-13(10-15)8-9-16-17-11-23(12-18(16)17)14-5-1-2-6-14/h3-4,7,10,14,16-18H,1-2,5-6,8-9,11-12H2
InChIKeyDJEGWIQZLTXXGV-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.64
Rot. Bonds5

About 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane

3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 173110524) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID173110524
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)Oc1cccc(CCC2C3CN(C4CCCC4)CC23)c1
InChIInChI=1S/C19H24F3NO/c20-19(21,22)24-15-7-3-4-13(10-15)8-9-16-17-11-23(12-18(16)17)14-5-1-2-6-14/h3-4,7,10,14,16-18H,1-2,5-6,8-9,11-12H2
InChIKeyDJEGWIQZLTXXGV-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]benzonitrile
CID 173110381
1-(3-cyclopentyl-3-azabicyclo[3.1.0]hexan-6-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1-methylimidazole-4-carboxylic acid
CID 162542269
1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 18456279
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 68777875
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane (CID 173110524) is 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane is FC(F)(F)Oc1cccc(CCC2C3CN(C4CCCC4)CC23)c1.
What is the InChIKey of 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is DJEGWIQZLTXXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO/c20-19(21,22)24-15-7-3-4-13(10-15)8-9-16-17-11-23(12-18(16)17)14-5-1-2-6-14/h3-4,7,10,14,16-18H,1-2,5-6,8-9,11-12H2.
What are the key properties of 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane?
3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 339.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 173110524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).