3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine

C6H10F3NOS — CID 79325818

IUPAC3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine
SMILESNCC(SC1COC1)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)5(1-10)12-4-2-11-3-4/h4-5H,1-3,10H2
InChIKeyPEYFMFFUALDMEO-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.01
Rot. Bonds3

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

3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine (PubChem CID 79325818) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine
PubChem CID79325818
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine
SMILESNCC(SC1COC1)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)5(1-10)12-4-2-11-3-4/h4-5H,1-3,10H2
InChIKeyPEYFMFFUALDMEO-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine (CID 79325818) is 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine is NCC(SC1COC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine?
The InChIKey is PEYFMFFUALDMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c7-6(8,9)5(1-10)12-4-2-11-3-4/h4-5H,1-3,10H2.
What are the key properties of 3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine?
3,3,3-trifluoro-2-(oxetan-3-ylsulfanyl)propan-1-amine has a molecular weight of 201.21 g/mol, XLogP of 1.01, 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-(oxetan-3-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 79325818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).