1-(trifluoromethylsulfinyl)butan-2-amine

C5H10F3NOS — CID 81188231

IUPAC1-(trifluoromethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NOS/c1-2-4(9)3-11(10)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyBLPZCJUTXPYYDS-UHFFFAOYSA-N
MW189.20 g/mol
LogP0.99
Rot. Bonds3

About 1-(trifluoromethylsulfinyl)butan-2-amine

1-(trifluoromethylsulfinyl)butan-2-amine (PubChem CID 81188231) has the molecular formula C5H10F3NOS and a molecular weight of 189.20 g/mol. Its IUPAC name is 1-(trifluoromethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(trifluoromethylsulfinyl)butan-2-amine
PubChem CID81188231
Molecular FormulaC5H10F3NOS
Molecular Weight189.20 g/mol
Exact Mass189.04
IUPAC Name1-(trifluoromethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NOS/c1-2-4(9)3-11(10)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyBLPZCJUTXPYYDS-UHFFFAOYSA-N
XLogP0.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfinyl)butan-2-amine?
The IUPAC name of 1-(trifluoromethylsulfinyl)butan-2-amine (CID 81188231) is 1-(trifluoromethylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(trifluoromethylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(trifluoromethylsulfinyl)butan-2-amine is CCC(N)CS(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfinyl)butan-2-amine?
The InChIKey is BLPZCJUTXPYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NOS/c1-2-4(9)3-11(10)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 1-(trifluoromethylsulfinyl)butan-2-amine?
1-(trifluoromethylsulfinyl)butan-2-amine has a molecular weight of 189.20 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfinyl)butan-2-amine is sourced from PubChem (CID 81188231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).