6-(trifluoromethylsulfanyl)-1H-quinolin-4-one

C10H6F3NOS — CID 86037213

IUPAC6-(trifluoromethylsulfanyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(SC(F)(F)F)cc12
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKeyUVOFEPHJADMYFT-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.14
Rot. Bonds1

About 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one

6-(trifluoromethylsulfanyl)-1H-quinolin-4-one (PubChem CID 86037213) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)-1H-quinolin-4-one
PubChem CID86037213
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC Name6-(trifluoromethylsulfanyl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(SC(F)(F)F)cc12
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKeyUVOFEPHJADMYFT-UHFFFAOYSA-N
XLogP3.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605
6-(trifluoromethylsulfanyl)-1H-indole
CID 142476966
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
6-propylsulfanyl-1H-quinolin-4-one
CID 67468428
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
benzene;1H-quinolin-4-one
CID 175272043
3-[3-(trifluoromethylsulfanyl)phenyl]-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 137025585
4-oxo-6-(trifluoromethylsulfanyl)chromene-2-carboxylic acid
CID 69489926
6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
CID 169455919

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one?
The IUPAC name of 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one (CID 86037213) is 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one?
The canonical SMILES for 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one is O=c1cc[nH]c2ccc(SC(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one?
The InChIKey is UVOFEPHJADMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15).
What are the key properties of 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one?
6-(trifluoromethylsulfanyl)-1H-quinolin-4-one has a molecular weight of 245.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfanyl)-1H-quinolin-4-one is sourced from PubChem (CID 86037213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).