[1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

C12H20F6N2 — CID 103312823

IUPAC[1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESCC1CC(C)CC(C(NN)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C12H20F6N2/c1-6-3-7(2)5-8(4-6)9(20-19)10(11(13,14)15)12(16,17)18/h6-10,20H,3-5,19H2,1-2H3
InChIKeyKOCGLTQKKARWLL-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.63
Rot. Bonds3

About [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

[1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312823) has the molecular formula C12H20F6N2 and a molecular weight of 306.29 g/mol. Its IUPAC name is [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312823
Molecular FormulaC12H20F6N2
Molecular Weight306.29 g/mol
Exact Mass306.15
IUPAC Name[1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESCC1CC(C)CC(C(NN)C(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C12H20F6N2/c1-6-3-7(2)5-8(4-6)9(20-19)10(11(13,14)15)12(16,17)18/h6-10,20H,3-5,19H2,1-2H3
InChIKeyKOCGLTQKKARWLL-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.63
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (CID 103312823) is [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is CC1CC(C)CC(C(NN)C(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is KOCGLTQKKARWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6N2/c1-6-3-7(2)5-8(4-6)9(20-19)10(11(13,14)15)12(16,17)18/h6-10,20H,3-5,19H2,1-2H3.
What are the key properties of [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
[1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 306.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).