3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine

C7H12F3NO — CID 63562852

IUPAC3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h5-6H,1-4,11H2
InChIKeyMZEMCXRLFHRAPB-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds2

About 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine

3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine (PubChem CID 63562852) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
PubChem CID63562852
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h5-6H,1-4,11H2
InChIKeyMZEMCXRLFHRAPB-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-(oxolan-3-yl)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 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine (CID 63562852) is 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine is NC(CC(F)(F)F)C1CCOC1.
What is the InChIKey of 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is MZEMCXRLFHRAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h5-6H,1-4,11H2.
What are the key properties of 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine?
3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 63562852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).