1,1,1-trifluoro-N-phenylsulfanylmethanamine

C7H6F3NS — CID 151834798

IUPAC1,1,1-trifluoro-N-phenylsulfanylmethanamine
SMILESFC(F)(F)NSc1ccccc1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)11-12-6-4-2-1-3-5-6/h1-5,11H
InChIKeySFKUVNNRBOPMEE-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.80
Rot. Bonds2

About 1,1,1-trifluoro-N-phenylsulfanylmethanamine

1,1,1-trifluoro-N-phenylsulfanylmethanamine (PubChem CID 151834798) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-phenylsulfanylmethanamine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-phenylsulfanylmethanamine
PubChem CID151834798
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name1,1,1-trifluoro-N-phenylsulfanylmethanamine
SMILESFC(F)(F)NSc1ccccc1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)11-12-6-4-2-1-3-5-6/h1-5,11H
InChIKeySFKUVNNRBOPMEE-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-phenylsulfanylmethanamine?
The IUPAC name of 1,1,1-trifluoro-N-phenylsulfanylmethanamine (CID 151834798) is 1,1,1-trifluoro-N-phenylsulfanylmethanamine.
What is the SMILES notation for 1,1,1-trifluoro-N-phenylsulfanylmethanamine?
The canonical SMILES for 1,1,1-trifluoro-N-phenylsulfanylmethanamine is FC(F)(F)NSc1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N-phenylsulfanylmethanamine?
The InChIKey is SFKUVNNRBOPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c8-7(9,10)11-12-6-4-2-1-3-5-6/h1-5,11H.
What are the key properties of 1,1,1-trifluoro-N-phenylsulfanylmethanamine?
1,1,1-trifluoro-N-phenylsulfanylmethanamine has a molecular weight of 193.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-phenylsulfanylmethanamine is sourced from PubChem (CID 151834798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).