3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H16F3NO — CID 65156707

IUPAC3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESFC(F)(F)CNCCCC1CCCO1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-13-5-1-3-8-4-2-6-14-8/h8,13H,1-7H2
InChIKeyPDIUKMCJYXEWOH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds5

About 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 65156707) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID65156707
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESFC(F)(F)CNCCCC1CCCO1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-13-5-1-3-8-4-2-6-14-8/h8,13H,1-7H2
InChIKeyPDIUKMCJYXEWOH-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-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 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 65156707) is 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is FC(F)(F)CNCCCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is PDIUKMCJYXEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-13-5-1-3-8-4-2-6-14-8/h8,13H,1-7H2.
What are the key properties of 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 65156707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).