1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine

C12H22F3NO — CID 65164341

IUPAC1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-7-16-10(9-12(13,14)15)5-6-11-4-3-8-17-11/h10-11,16H,2-9H2,1H3
InChIKeyGFHYTSQMJHTRDE-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds7

About 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine

1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine (PubChem CID 65164341) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine
PubChem CID65164341
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-7-16-10(9-12(13,14)15)5-6-11-4-3-8-17-11/h10-11,16H,2-9H2,1H3
InChIKeyGFHYTSQMJHTRDE-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-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 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine (CID 65164341) is 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine is CCCNC(CCC1CCCO1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The InChIKey is GFHYTSQMJHTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-7-16-10(9-12(13,14)15)5-6-11-4-3-8-17-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine?
1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 65164341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).