(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine

C12H20FN — CID 166764381

IUPAC(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine
SMILES[H]/N=C/C(C)=C\CC1CCC(C)(F)CC1
InChIInChI=1S/C12H20FN/c1-10(9-14)3-4-11-5-7-12(2,13)8-6-11/h3,9,11,14H,4-8H2,1-2H3/b10-3-,14-9+
InChIKeyLMBNDJHUUGBECE-GZINZNPDSA-N
MW197.30 g/mol
LogP3.89
Rot. Bonds3

About (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine

(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine (PubChem CID 166764381) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine
PubChem CID166764381
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine
SMILES[H]/N=C/C(C)=C\CC1CCC(C)(F)CC1
InChIInChI=1S/C12H20FN/c1-10(9-14)3-4-11-5-7-12(2,13)8-6-11/h3,9,11,14H,4-8H2,1-2H3/b10-3-,14-9+
InChIKeyLMBNDJHUUGBECE-GZINZNPDSA-N
XLogP3.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine?
The IUPAC name of (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine (CID 166764381) is (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine is [H]/N=C/C(C)=C\CC1CCC(C)(F)CC1.
What is the InChIKey of (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine?
The InChIKey is LMBNDJHUUGBECE-GZINZNPDSA-N. The full InChI is InChI=1S/C12H20FN/c1-10(9-14)3-4-11-5-7-12(2,13)8-6-11/h3,9,11,14H,4-8H2,1-2H3/b10-3-,14-9+.
What are the key properties of (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine?
(Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine has a molecular weight of 197.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-fluoro-4-methylcyclohexyl)-2-methylbut-2-en-1-imine is sourced from PubChem (CID 166764381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).