[3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine

C6H10F3NOS — CID 130236597

IUPAC[3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine
SMILESNCC1(SCC(F)(F)F)COC1
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)4-12-5(1-10)2-11-3-5/h1-4,10H2
InChIKeyMUPVQHPKTJCUQI-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.01
Rot. Bonds3

About [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine

[3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine (PubChem CID 130236597) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine
PubChem CID130236597
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name[3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine
SMILESNCC1(SCC(F)(F)F)COC1
InChIInChI=1S/C6H10F3NOS/c7-6(8,9)4-12-5(1-10)2-11-3-5/h1-4,10H2
InChIKeyMUPVQHPKTJCUQI-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-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine (CID 130236597) is [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine is NCC1(SCC(F)(F)F)COC1.
What is the InChIKey of [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine?
The InChIKey is MUPVQHPKTJCUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c7-6(8,9)4-12-5(1-10)2-11-3-5/h1-4,10H2.
What are the key properties of [3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine?
[3-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine 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-(2,2,2-trifluoroethylsulfanyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 130236597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).