N-[3-(trifluoromethylsulfanyl)phenyl]acetamide

C9H8F3NOS — CID 606197

IUPACN-[3-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C9H8F3NOS/c1-6(14)13-7-3-2-4-8(5-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyTVXYDNRPCYCOAP-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.26
Rot. Bonds2

About N-[3-(trifluoromethylsulfanyl)phenyl]acetamide

N-[3-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 606197) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is N-[3-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID606197
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC NameN-[3-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C9H8F3NOS/c1-6(14)13-7-3-2-4-8(5-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyTVXYDNRPCYCOAP-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-(trifluoromethylsulfanyl)phenyl]acetamide (CID 606197) is N-[3-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-(trifluoromethylsulfanyl)phenyl]acetamide is CC(=O)Nc1cccc(SC(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is TVXYDNRPCYCOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c1-6(14)13-7-3-2-4-8(5-7)15-9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
N-[3-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 235.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 606197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).