[cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine

C15H26F2N2 — CID 114216842

IUPAC[cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine
SMILESNNC(C1=CCCCCCC1)C1CCCC(F)(F)C1
InChIInChI=1S/C15H26F2N2/c16-15(17)10-6-9-13(11-15)14(19-18)12-7-4-2-1-3-5-8-12/h7,13-14,19H,1-6,8-11,18H2
InChIKeyHQMBVVJWKQWQIG-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.92
Rot. Bonds3

About [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine

[cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine (PubChem CID 114216842) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine
PubChem CID114216842
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name[cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine
SMILESNNC(C1=CCCCCCC1)C1CCCC(F)(F)C1
InChIInChI=1S/C15H26F2N2/c16-15(17)10-6-9-13(11-15)14(19-18)12-7-4-2-1-3-5-8-12/h7,13-14,19H,1-6,8-11,18H2
InChIKeyHQMBVVJWKQWQIG-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.92
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'}

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Related Compounds

[1-(Cyclohexen-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105269859
[1-(Cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105269964
1-[3-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289643
1-(4,4-Difluorocyclohexyl)but-3-enylhydrazine
CID 105289648
1-[4-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289665
1-[3-(Trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311347
1-(4,4-Difluorocyclohexyl)hex-5-enylhydrazine
CID 105311352
1-[4-(Trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311377
1-[2-(Trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311422
1-[3-(Trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311607
1-(4,4-Difluorocyclohexyl)pent-4-enylhydrazine
CID 105311612
1-[4-(Trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311638

Frequently Asked Questions

What is the IUPAC name of [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine?
The IUPAC name of [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine (CID 114216842) is [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine.
What is the SMILES notation for [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine?
The canonical SMILES for [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine is NNC(C1=CCCCCCC1)C1CCCC(F)(F)C1.
What is the InChIKey of [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine?
The InChIKey is HQMBVVJWKQWQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2/c16-15(17)10-6-9-13(11-15)14(19-18)12-7-4-2-1-3-5-8-12/h7,13-14,19H,1-6,8-11,18H2.
What are the key properties of [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine?
[cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine has a molecular weight of 272.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloocten-1-yl-(3,3-difluorocyclohexyl)methyl]hydrazine is sourced from PubChem (CID 114216842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).