1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

C78H88ClF7N6 — CID 158288991

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(c2ccc(F)c(Cl)c2)C1.CN1CC2CC2(c2ccc(F)c(F)c2)C1.CN1CC2CC2(c2ccc(F)cc2F)C1.CN1CC2CC2(c2ccc3ccccc3c2)C1.Cc1cc(C23CC2CN(C)C3)ccc1F.Cc1ccc(C23CC2CN(C)C3)cc1F
InChIInChI=1S/C16H17N.2C13H16FN.C12H13ClFN.2C12H13F2N/c1-17-10-15-9-16(15,11-17)14-7-6-12-4-2-3-5-13(12)8-14;1-9-5-10(3-4-12(9)14)13-6-11(13)7-15(2)8-13;1-9-3-4-10(5-12(9)14)13-6-11(13)7-15(2)8-13;1-15-6-9-5-12(9,7-15)8-2-3-11(14)10(13)4-8;1-15-6-8-5-12(8,7-15)10-3-2-9(13)4-11(10)14;1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-8,15H,9-11H2,1H3;2*3-5,11H,6-8H2,1-2H3;2-4,9H,5-7H2,1H3;2-4,8H,5-7H2,1H3;2-4,9H,5-7H2,1H3
InChIKeyGLCZGLSMFJJEAM-UHFFFAOYSA-N
MW1278.04 g/mol
LogP14.74
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane

1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 158288991) has the molecular formula C78H88ClF7N6 and a molecular weight of 1278.04 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID158288991
Molecular FormulaC78H88ClF7N6
Molecular Weight1278.04 g/mol
Exact Mass1276.66
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(c2ccc(F)c(Cl)c2)C1.CN1CC2CC2(c2ccc(F)c(F)c2)C1.CN1CC2CC2(c2ccc(F)cc2F)C1.CN1CC2CC2(c2ccc3ccccc3c2)C1.Cc1cc(C23CC2CN(C)C3)ccc1F.Cc1ccc(C23CC2CN(C)C3)cc1F
InChIInChI=1S/C16H17N.2C13H16FN.C12H13ClFN.2C12H13F2N/c1-17-10-15-9-16(15,11-17)14-7-6-12-4-2-3-5-13(12)8-14;1-9-5-10(3-4-12(9)14)13-6-11(13)7-15(2)8-13;1-9-3-4-10(5-12(9)14)13-6-11(13)7-15(2)8-13;1-15-6-9-5-12(9,7-15)8-2-3-11(14)10(13)4-8;1-15-6-8-5-12(8,7-15)10-3-2-9(13)4-11(10)14;1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-8,15H,9-11H2,1H3;2*3-5,11H,6-8H2,1-2H3;2-4,9H,5-7H2,1H3;2-4,8H,5-7H2,1H3;2-4,9H,5-7H2,1H3
InChIKeyGLCZGLSMFJJEAM-UHFFFAOYSA-N
XLogP14.74
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.04
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane (CID 158288991) is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is CN1CC2CC2(c2ccc(F)c(Cl)c2)C1.CN1CC2CC2(c2ccc(F)c(F)c2)C1.CN1CC2CC2(c2ccc(F)cc2F)C1.CN1CC2CC2(c2ccc3ccccc3c2)C1.Cc1cc(C23CC2CN(C)C3)ccc1F.Cc1ccc(C23CC2CN(C)C3)cc1F.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GLCZGLSMFJJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.2C13H16FN.C12H13ClFN.2C12H13F2N/c1-17-10-15-9-16(15,11-17)14-7-6-12-4-2-3-5-13(12)8-14;1-9-5-10(3-4-12(9)14)13-6-11(13)7-15(2)8-13;1-9-3-4-10(5-12(9)14)13-6-11(13)7-15(2)8-13;1-15-6-9-5-12(9,7-15)8-2-3-11(14)10(13)4-8;1-15-6-8-5-12(8,7-15)10-3-2-9(13)4-11(10)14;1-15-6-9-5-12(9,7-15)8-2-3-10(13)11(14)4-8/h2-8,15H,9-11H2,1H3;2*3-5,11H,6-8H2,1-2H3;2-4,9H,5-7H2,1H3;2-4,8H,5-7H2,1H3;2-4,9H,5-7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane?
1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 1278.04 g/mol, XLogP of 14.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(2,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3,4-difluorophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(3-fluoro-4-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;1-(4-fluoro-3-methylphenyl)-3-methyl-3-azabicyclo[3.1.0]hexane;3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158288991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).