trifluoromethylsulfanylmethanamine

C2H4F3NS — CID 87937224

IUPACtrifluoromethylsulfanylmethanamine
SMILESNCSC(F)(F)F
InChIInChI=1S/C2H4F3NS/c3-2(4,5)7-1-6/h1,6H2
InChIKeySDZXYDXZNQSKRY-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.16
Rot. Bonds1

About trifluoromethylsulfanylmethanamine

trifluoromethylsulfanylmethanamine (PubChem CID 87937224) has the molecular formula C2H4F3NS and a molecular weight of 131.12 g/mol. Its IUPAC name is trifluoromethylsulfanylmethanamine.

Molecular Properties

Compound Nametrifluoromethylsulfanylmethanamine
PubChem CID87937224
Molecular FormulaC2H4F3NS
Molecular Weight131.12 g/mol
Exact Mass131.00
IUPAC Nametrifluoromethylsulfanylmethanamine
SMILESNCSC(F)(F)F
InChIInChI=1S/C2H4F3NS/c3-2(4,5)7-1-6/h1,6H2
InChIKeySDZXYDXZNQSKRY-UHFFFAOYSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfanylmethanamine?
The IUPAC name of trifluoromethylsulfanylmethanamine (CID 87937224) is trifluoromethylsulfanylmethanamine.
What is the SMILES notation for trifluoromethylsulfanylmethanamine?
The canonical SMILES for trifluoromethylsulfanylmethanamine is NCSC(F)(F)F.
What is the InChIKey of trifluoromethylsulfanylmethanamine?
The InChIKey is SDZXYDXZNQSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3NS/c3-2(4,5)7-1-6/h1,6H2.
What are the key properties of trifluoromethylsulfanylmethanamine?
trifluoromethylsulfanylmethanamine has a molecular weight of 131.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfanylmethanamine is sourced from PubChem (CID 87937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).