[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine

C12H23F3N2O — CID 105321470

IUPAC[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
SMILESCCCOCC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-2-6-18-8-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyKDDHLTWWXHLRAT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds6

About [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine

[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine (PubChem CID 105321470) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
PubChem CID105321470
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
SMILESCCCOCC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-2-6-18-8-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h9-11,17H,2-8,16H2,1H3
InChIKeyKDDHLTWWXHLRAT-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
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'}

Analyze [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]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 [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine?
The IUPAC name of [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine (CID 105321470) is [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine.
What is the SMILES notation for [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine?
The canonical SMILES for [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine is CCCOCC(NN)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine?
The InChIKey is KDDHLTWWXHLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-2-6-18-8-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h9-11,17H,2-8,16H2,1H3.
What are the key properties of [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine?
[2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propoxy-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine is sourced from PubChem (CID 105321470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).