3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine

C8H14F3NOS — CID 62995712

IUPAC3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine
SMILESNCC(SC1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)7(5-12)14-6-1-3-13-4-2-6/h6-7H,1-5,12H2
InChIKeyDNFANPDAKUDXMD-UHFFFAOYSA-N
MW229.27 g/mol
LogP1.79
Rot. Bonds3

About 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine

3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine (PubChem CID 62995712) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine
PubChem CID62995712
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC Name3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine
SMILESNCC(SC1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c9-8(10,11)7(5-12)14-6-1-3-13-4-2-6/h6-7H,1-5,12H2
InChIKeyDNFANPDAKUDXMD-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)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-2-(oxan-4-ylsulfanyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine (CID 62995712) is 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine is NCC(SC1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine?
The InChIKey is DNFANPDAKUDXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c9-8(10,11)7(5-12)14-6-1-3-13-4-2-6/h6-7H,1-5,12H2.
What are the key properties of 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine?
3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(oxan-4-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 62995712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).