2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C10H10F3NOS — CID 4875532

IUPAC2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15)
InChIKeyJQAOHLPBSFGBQY-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.67
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 4875532) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID4875532
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15)
InChIKeyJQAOHLPBSFGBQY-UHFFFAOYSA-N
XLogP2.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 4875532) is 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(Sc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is JQAOHLPBSFGBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 249.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 4875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).