[cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine

C16H27F3N2 — CID 106650076

IUPAC[cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESNNC(C1=CCCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2/c17-16(18,19)14-10-8-13(9-11-14)15(21-20)12-6-4-2-1-3-5-7-12/h6,13-15,21H,1-5,7-11,20H2
InChIKeyKENAKTWKUBTKKJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.47
Rot. Bonds3

About [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine

[cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine (PubChem CID 106650076) has the molecular formula C16H27F3N2 and a molecular weight of 304.40 g/mol. Its IUPAC name is [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine.

Molecular Properties

Compound Name[cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
PubChem CID106650076
Molecular FormulaC16H27F3N2
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name[cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
SMILESNNC(C1=CCCCCCC1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2/c17-16(18,19)14-10-8-13(9-11-14)15(21-20)12-6-4-2-1-3-5-7-12/h6,13-15,21H,1-5,7-11,20H2
InChIKeyKENAKTWKUBTKKJ-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289665
1-(4,4-Difluorocyclohexyl)hex-5-enylhydrazine
CID 105311352
1-[4-(Trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311377
1-[4-(Trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311638
1-[3-(Trifluoromethyl)cyclohexyl]prop-2-enylhydrazine
CID 105318057
1-(4,4-Difluorocyclohexyl)prop-2-enylhydrazine
CID 105318061
1-[4-(Trifluoromethyl)cyclohexyl]prop-2-enylhydrazine
CID 105318087
[3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine
CID 105319636
[3-Methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
CID 105319867
[1-(4,4-Difluorocyclohexyl)-3-methylbut-2-enyl]hydrazine
CID 105319872
[3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
CID 105319898
[3-Methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
CID 105319944

Frequently Asked Questions

What is the IUPAC name of [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The IUPAC name of [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine (CID 106650076) is [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine.
What is the SMILES notation for [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The canonical SMILES for [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine is NNC(C1=CCCCCCC1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
The InChIKey is KENAKTWKUBTKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2/c17-16(18,19)14-10-8-13(9-11-14)15(21-20)12-6-4-2-1-3-5-7-12/h6,13-15,21H,1-5,7-11,20H2.
What are the key properties of [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine?
[cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine has a molecular weight of 304.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine is sourced from PubChem (CID 106650076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).