[3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride

C8H9ClF3NS — CID 127258877

IUPAC[3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C8H8F3NS.ClH/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;/h1-4H,5,12H2;1H
InChIKeyUHYFQCWUJYCNHR-UHFFFAOYSA-N
MW243.68 g/mol
LogP3.18
Rot. Bonds2

About [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride

[3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride (PubChem CID 127258877) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
PubChem CID127258877
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name[3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C8H8F3NS.ClH/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;/h1-4H,5,12H2;1H
InChIKeyUHYFQCWUJYCNHR-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride (CID 127258877) is [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride is Cl.NCc1cccc(SC(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
The InChIKey is UHYFQCWUJYCNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS.ClH/c9-8(10,11)13-7-3-1-2-6(4-7)5-12;/h1-4H,5,12H2;1H.
What are the key properties of [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride?
[3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride has a molecular weight of 243.68 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 127258877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).