2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide

C11H12F3NOS — CID 162662631

IUPAC2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide
SMILESCC(SCc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H12F3NOS/c1-7(10(15)16)17-6-8-3-2-4-9(5-8)11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyYGWBGTUCTQEIOU-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.81
Rot. Bonds4

About 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide

2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide (PubChem CID 162662631) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide
PubChem CID162662631
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide
SMILESCC(SCc1cccc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H12F3NOS/c1-7(10(15)16)17-6-8-3-2-4-9(5-8)11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyYGWBGTUCTQEIOU-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.81
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]methylsulfanyl]propanamide?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide (CID 162662631) is 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide is CC(SCc1cccc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide?
The InChIKey is YGWBGTUCTQEIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-7(10(15)16)17-6-8-3-2-4-9(5-8)11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide?
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide has a molecular weight of 263.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propanamide is sourced from PubChem (CID 162662631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).