1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 65166942

IUPAC1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CCC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h10-11H,1-9,17H2
InChIKeyFHAUWLRPRJWLCG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.40
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 65166942) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID65166942
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(CCC2CCCO2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h10-11H,1-9,17H2
InChIKeyFHAUWLRPRJWLCG-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65090010
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105104877
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
3-fluoro-3-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563004
4-tert-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 65161890
2-ethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65167407
4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 126979079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 65166942) is 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is NC1(CCC2CCCO2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FHAUWLRPRJWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-3-6-12(17,7-4-10)8-5-11-2-1-9-18-11/h10-11H,1-9,17H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 65166942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).