3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine

C13H20FN — CID 123916073

IUPAC3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(F)C(C2CCC(C)CC2)CC1
InChIInChI=1S/C13H20FN/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14/h8-10,12,15H,2-7H2,1H3/b15-11+
InChIKeyYPPIZENUSKBURX-RVDMUPIBSA-N
MW209.31 g/mol
LogP4.10
Rot. Bonds1

About 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine

3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine (PubChem CID 123916073) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
PubChem CID123916073
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(F)C(C2CCC(C)CC2)CC1
InChIInChI=1S/C13H20FN/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14/h8-10,12,15H,2-7H2,1H3/b15-11+
InChIKeyYPPIZENUSKBURX-RVDMUPIBSA-N
XLogP4.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
3-(4-Heptan-3-ylcyclohex-2-en-1-yl)-1-(2,3,4,5,6-pentafluorocyclohexyl)butan-2-imine
CID 144314829
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
1-[3-Ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
CID 91385250
4-(2,2,3,4-Tetramethylpentyl)cyclohex-2-en-1-imine
CID 91445250
(4aR)-4a,5,6-trimethyl-1,3,4,5,6,7-hexahydronaphthalen-2-imine
CID 117615005
4-Hexylcyclohex-2-en-1-imine
CID 123354145
2,6-Di(propan-2-yl)cyclohex-2-en-1-imine
CID 123485492
1-(3,7-Diethyl-2-bicyclo[3.3.1]nona-2,6-dienyl)ethanimine
CID 123690866

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine?
The IUPAC name of 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine (CID 123916073) is 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine?
The canonical SMILES for 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine is [H]/N=C1/C=C(F)C(C2CCC(C)CC2)CC1.
What is the InChIKey of 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine?
The InChIKey is YPPIZENUSKBURX-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14/h8-10,12,15H,2-7H2,1H3/b15-11+.
What are the key properties of 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine?
3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine has a molecular weight of 209.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 123916073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).