[3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine

C12H23F3N2 — CID 105282850

IUPAC[3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCC(C)CC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-8(2)7-11(17-16)9-5-3-4-6-10(9)12(13,14)15/h8-11,17H,3-7,16H2,1-2H3
InChIKeyPAUQZUFEEVRZFO-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds4

About [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine

[3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine (PubChem CID 105282850) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
PubChem CID105282850
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name[3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine
SMILESCC(C)CC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-8(2)7-11(17-16)9-5-3-4-6-10(9)12(13,14)15/h8-11,17H,3-7,16H2,1-2H3
InChIKeyPAUQZUFEEVRZFO-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
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 [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The IUPAC name of [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine (CID 105282850) is [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine.
What is the SMILES notation for [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The canonical SMILES for [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine is CC(C)CC(NN)C1CCCCC1C(F)(F)F.
What is the InChIKey of [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
The InChIKey is PAUQZUFEEVRZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-8(2)7-11(17-16)9-5-3-4-6-10(9)12(13,14)15/h8-11,17H,3-7,16H2,1-2H3.
What are the key properties of [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine?
[3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine has a molecular weight of 252.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(trifluoromethyl)cyclohexyl]butyl]hydrazine is sourced from PubChem (CID 105282850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).