[2-(trifluoromethylsulfanyl)phenyl]methanamine

C8H8F3NS — CID 2777871

IUPAC[2-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESNCc1ccccc1SC(F)(F)F
InChIInChI=1S/C8H8F3NS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKeyYWKFKAJMVJFHMK-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.76
Rot. Bonds2

About [2-(trifluoromethylsulfanyl)phenyl]methanamine

[2-(trifluoromethylsulfanyl)phenyl]methanamine (PubChem CID 2777871) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is [2-(trifluoromethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethylsulfanyl)phenyl]methanamine
PubChem CID2777871
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name[2-(trifluoromethylsulfanyl)phenyl]methanamine
SMILESNCc1ccccc1SC(F)(F)F
InChIInChI=1S/C8H8F3NS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
InChIKeyYWKFKAJMVJFHMK-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethylsulfanyl)phenyl]methanamine?
The IUPAC name of [2-(trifluoromethylsulfanyl)phenyl]methanamine (CID 2777871) is [2-(trifluoromethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [2-(trifluoromethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [2-(trifluoromethylsulfanyl)phenyl]methanamine is NCc1ccccc1SC(F)(F)F.
What is the InChIKey of [2-(trifluoromethylsulfanyl)phenyl]methanamine?
The InChIKey is YWKFKAJMVJFHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4H,5,12H2.
What are the key properties of [2-(trifluoromethylsulfanyl)phenyl]methanamine?
[2-(trifluoromethylsulfanyl)phenyl]methanamine has a molecular weight of 207.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 2777871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).