N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine

C21H25F4N — CID 21138619

IUPACN-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine
SMILESC=Nc1c(F)cc(C2CCC(C3CCC(C=C(F)F)CC3)CC2)cc1F
InChIInChI=1S/C21H25F4N/c1-26-21-18(22)11-17(12-19(21)23)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-20(24)25/h10-16H,1-9H2
InChIKeyQVWIRODUMIJVJV-UHFFFAOYSA-N
MW367.43 g/mol
LogP7.16
Rot. Bonds4

About N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine

N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine (PubChem CID 21138619) has the molecular formula C21H25F4N and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine.

Molecular Properties

Compound NameN-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine
PubChem CID21138619
Molecular FormulaC21H25F4N
Molecular Weight367.43 g/mol
Exact Mass367.19
IUPAC NameN-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine
SMILESC=Nc1c(F)cc(C2CCC(C3CCC(C=C(F)F)CC3)CC2)cc1F
InChIInChI=1S/C21H25F4N/c1-26-21-18(22)11-17(12-19(21)23)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-20(24)25/h10-16H,1-9H2
InChIKeyQVWIRODUMIJVJV-UHFFFAOYSA-N
XLogP7.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.43
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine with MolForge

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Related Compounds

2-fluoro-N-methyl-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)aniline
CID 100994055
alpha,alpha-Bis(4-amino-3,5-difluorophenyl)phenylmethane
CID 101853850
alpha,alpha-Bis(4-amino-3,5-difluorophenyl)-4-(trifluoromethyl)-phenylmethane
CID 129851965
3,5,2',6',2'',6''-Hexafluoro[1,1':4',1'']terphenyl-4-ylamine
CID 6426451
1,3-Difluoro-2-isothiocyanato-5-[4-(4-propylcyclohexyl)phenyl]benzene
CID 15095370
4'-(3,5-Difluoro-4-isothiocyanatophenyl)-4-n-propylbicyclohexyl
CID 15095371
1,4-Difluoro-2-isothiocyanato-5-[4-(4-propylcyclohexyl)phenyl]benzene
CID 15095372
4-(4-Butylcyclohexyl)-2,6-difluoroaniline
CID 20260024
2,6-Difluoro-4-(4-pentylcyclohexyl)aniline
CID 20260043
2,6-Difluoro-4-(4-propylcyclohexyl)aniline
CID 20260136
1,3-difluoro-2-isothiocyanato-5-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]benzene
CID 20588875
1,3-Difluoro-2-isothiocyanato-5-[4-(4-methylphenyl)phenyl]benzene
CID 20588878

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine?
The IUPAC name of N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine (CID 21138619) is N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine.
What is the SMILES notation for N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine?
The canonical SMILES for N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine is C=Nc1c(F)cc(C2CCC(C3CCC(C=C(F)F)CC3)CC2)cc1F.
What is the InChIKey of N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine?
The InChIKey is QVWIRODUMIJVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F4N/c1-26-21-18(22)11-17(12-19(21)23)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-20(24)25/h10-16H,1-9H2.
What are the key properties of N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine?
N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine has a molecular weight of 367.43 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-2,6-difluorophenyl]methanimine is sourced from PubChem (CID 21138619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).