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

C13H25F3N2O — CID 103151627

IUPAC[1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCC1CC(C)CC(C(CCOCC(F)(F)F)NN)C1
InChIInChI=1S/C13H25F3N2O/c1-9-5-10(2)7-11(6-9)12(18-17)3-4-19-8-13(14,15)16/h9-12,18H,3-8,17H2,1-2H3
InChIKeyPGQYUQMXOLOOCF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.86
Rot. Bonds6

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

[1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151627) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151627
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESCC1CC(C)CC(C(CCOCC(F)(F)F)NN)C1
InChIInChI=1S/C13H25F3N2O/c1-9-5-10(2)7-11(6-9)12(18-17)3-4-19-8-13(14,15)16/h9-12,18H,3-8,17H2,1-2H3
InChIKeyPGQYUQMXOLOOCF-UHFFFAOYSA-N
XLogP2.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
[4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026334
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
1-(3-Ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148082
1-(3,5-Dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148201
3-(2,2-Difluoroethoxy)-1-(3-methylcyclohexyl)propan-1-amine
CID 103148837
3-(2,2-Difluoroethoxy)-1-(4-methylcyclohexyl)propan-1-amine
CID 103148920
3-(2,2-Difluoroethoxy)-1-(3-ethylcyclohexyl)propan-1-amine
CID 103148965
3-(2,2-Difluoroethoxy)-1-(3,5-dimethylcyclohexyl)propan-1-amine
CID 103149109
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151627) is [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is CC1CC(C)CC(C(CCOCC(F)(F)F)NN)C1.
What is the InChIKey of [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is PGQYUQMXOLOOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-9-5-10(2)7-11(6-9)12(18-17)3-4-19-8-13(14,15)16/h9-12,18H,3-8,17H2,1-2H3.
What are the key properties of [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).