3,3,3-trifluoro-2-methylsulfanylpropan-1-amine

C4H8F3NS — CID 61024372

IUPAC3,3,3-trifluoro-2-methylsulfanylpropan-1-amine
SMILESCSC(CN)C(F)(F)F
InChIInChI=1S/C4H8F3NS/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyBOGKZWFOKWXZTM-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.24
Rot. Bonds2

About 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine

3,3,3-trifluoro-2-methylsulfanylpropan-1-amine (PubChem CID 61024372) has the molecular formula C4H8F3NS and a molecular weight of 159.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylsulfanylpropan-1-amine
PubChem CID61024372
Molecular FormulaC4H8F3NS
Molecular Weight159.18 g/mol
Exact Mass159.03
IUPAC Name3,3,3-trifluoro-2-methylsulfanylpropan-1-amine
SMILESCSC(CN)C(F)(F)F
InChIInChI=1S/C4H8F3NS/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyBOGKZWFOKWXZTM-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine (CID 61024372) is 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine is CSC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine?
The InChIKey is BOGKZWFOKWXZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NS/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine?
3,3,3-trifluoro-2-methylsulfanylpropan-1-amine has a molecular weight of 159.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 61024372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).