1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone

C10H12F5NOS — CID 58085707

IUPAC1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(N(C)C)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H12F5NOS/c1-7(17)8-4-9(16(2)3)6-10(5-8)18(11,12,13,14)15/h4-6H,1-3H3
InChIKeyYAIJQPZTDDAJHL-UHFFFAOYSA-N
MW289.27 g/mol
LogP4.61
Rot. Bonds3

About 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone

1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone (PubChem CID 58085707) has the molecular formula C10H12F5NOS and a molecular weight of 289.27 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone
PubChem CID58085707
Molecular FormulaC10H12F5NOS
Molecular Weight289.27 g/mol
Exact Mass289.06
IUPAC Name1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone
SMILESCC(=O)c1cc(N(C)C)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C10H12F5NOS/c1-7(17)8-4-9(16(2)3)6-10(5-8)18(11,12,13,14)15/h4-6H,1-3H3
InChIKeyYAIJQPZTDDAJHL-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone?
The IUPAC name of 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone (CID 58085707) is 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone is CC(=O)c1cc(N(C)C)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone?
The InChIKey is YAIJQPZTDDAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5NOS/c1-7(17)8-4-9(16(2)3)6-10(5-8)18(11,12,13,14)15/h4-6H,1-3H3.
What are the key properties of 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone?
1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone has a molecular weight of 289.27 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone is sourced from PubChem (CID 58085707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).