N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide

C10H7F8NO2S — CID 58085708

IUPACN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cc(NC(=O)C(F)(F)F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H7F8NO2S/c1-5(20)6-2-7(19-9(21)10(11,12)13)4-8(3-6)22(14,15,16,17)18/h2-4H,1H3,(H,19,21)
InChIKeyCSPHSPKSLUCQJU-UHFFFAOYSA-N
MW357.22 g/mol
LogP5.05
Rot. Bonds3

About N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide

N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 58085708) has the molecular formula C10H7F8NO2S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID58085708
Molecular FormulaC10H7F8NO2S
Molecular Weight357.22 g/mol
Exact Mass357.01
IUPAC NameN-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)c1cc(NC(=O)C(F)(F)F)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H7F8NO2S/c1-5(20)6-2-7(19-9(21)10(11,12)13)4-8(3-6)22(14,15,16,17)18/h2-4H,1H3,(H,19,21)
InChIKeyCSPHSPKSLUCQJU-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.22
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
N-(3-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide
CID 2169834
3-(3-Acetamido-4-fluorobenzamido)benzene-1-sulfonyl fluoride
CID 136532172
3-Trifluoroacetamidobenzoyltrifluoroacetone
CID 129768381
N-(5-acetyl-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 135076920
N-(3-acetylphenyl)-3-methylsulfanylbenzamide
CID 7266908
N-(3-acetylphenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038025
N-[3-(3,3,3-trifluoropropanoyl)phenyl]acetamide
CID 102367001
N-(3-acetyl-4-fluorophenyl)-2,2,2-trifluoroacetamide
CID 15048251
N-(3-acetamido-5-acetylphenyl)-2,2,2-trifluoroacetamide
CID 21316006
2-Bromo-1-[3-methylamino-5-(pentafluorosulfanyl)phenyl]ethanone
CID 45257893
N-(5-Acetyl-2-fluorophenyl)acetamide
CID 53431926

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide (CID 58085708) is N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide is CC(=O)c1cc(NC(=O)C(F)(F)F)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is CSPHSPKSLUCQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F8NO2S/c1-5(20)6-2-7(19-9(21)10(11,12)13)4-8(3-6)22(14,15,16,17)18/h2-4H,1H3,(H,19,21).
What are the key properties of N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 357.22 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58085708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).