2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine

C10H18F3NO — CID 16793881

IUPAC2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
SMILESNC1CCCCCCC1OCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-15-9-6-4-2-1-3-5-8(9)14/h8-9H,1-7,14H2
InChIKeyWWLIFAOWYSICKF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine

2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine (PubChem CID 16793881) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
PubChem CID16793881
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
SMILESNC1CCCCCCC1OCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-15-9-6-4-2-1-3-5-8(9)14/h8-9H,1-7,14H2
InChIKeyWWLIFAOWYSICKF-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethoxy)cyclooctan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine (CID 16793881) is 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine is NC1CCCCCCC1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine?
The InChIKey is WWLIFAOWYSICKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)7-15-9-6-4-2-1-3-5-8(9)14/h8-9H,1-7,14H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine?
2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine is sourced from PubChem (CID 16793881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).