[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C12H22F3NO — CID 62724691

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-8-4-7-11(9-16)5-2-1-3-6-11/h1-10,16H2
InChIKeyYIFJBGUVCJIHJR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds6

About [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 62724691) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID62724691
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-8-4-7-11(9-16)5-2-1-3-6-11/h1-10,16H2
InChIKeyYIFJBGUVCJIHJR-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine 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 [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 62724691) is [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is NCC1(CCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is YIFJBGUVCJIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-17-8-4-7-11(9-16)5-2-1-3-6-11/h1-10,16H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 62724691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).