[1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine

C12H23F3N2 — CID 105248994

IUPAC[1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCCC1CCCCC1C(CCC(F)(F)F)NN
InChIInChI=1S/C12H23F3N2/c1-2-9-5-3-4-6-10(9)11(17-16)7-8-12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyKTDNFYBXLLCAIT-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.38
Rot. Bonds5

About [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine

[1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105248994) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105248994
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name[1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCCC1CCCCC1C(CCC(F)(F)F)NN
InChIInChI=1S/C12H23F3N2/c1-2-9-5-3-4-6-10(9)11(17-16)7-8-12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyKTDNFYBXLLCAIT-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine (CID 105248994) is [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine is CCC1CCCCC1C(CCC(F)(F)F)NN.
What is the InChIKey of [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is KTDNFYBXLLCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-9-5-3-4-6-10(9)11(17-16)7-8-12(13,14)15/h9-11,17H,2-8,16H2,1H3.
What are the key properties of [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 252.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105248994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).