1,1,1-trifluoro-4-methylsulfanylbutan-2-amine

C5H10F3NS — CID 119096803

IUPAC1,1,1-trifluoro-4-methylsulfanylbutan-2-amine
SMILESCSCCC(N)C(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-10-3-2-4(9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyGAXHXLFDGBDAMZ-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.63
Rot. Bonds3

About 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine

1,1,1-trifluoro-4-methylsulfanylbutan-2-amine (PubChem CID 119096803) has the molecular formula C5H10F3NS and a molecular weight of 173.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylsulfanylbutan-2-amine
PubChem CID119096803
Molecular FormulaC5H10F3NS
Molecular Weight173.20 g/mol
Exact Mass173.05
IUPAC Name1,1,1-trifluoro-4-methylsulfanylbutan-2-amine
SMILESCSCCC(N)C(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-10-3-2-4(9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyGAXHXLFDGBDAMZ-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine (CID 119096803) is 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine is CSCCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine?
The InChIKey is GAXHXLFDGBDAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NS/c1-10-3-2-4(9)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine?
1,1,1-trifluoro-4-methylsulfanylbutan-2-amine has a molecular weight of 173.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 119096803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).