6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one

C12H6F7NO — CID 174912605

IUPAC6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc12
InChIInChI=1S/C12H6F7NO/c13-10(11(14,15)16,12(17,18)19)6-1-2-8-7(5-6)9(21)3-4-20-8/h1-5H,(H,20,21)
InChIKeyUOADUNDMGTUZTP-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.82
Rot. Bonds1

About 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one

6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one (PubChem CID 174912605) has the molecular formula C12H6F7NO and a molecular weight of 313.17 g/mol. Its IUPAC name is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
PubChem CID174912605
Molecular FormulaC12H6F7NO
Molecular Weight313.17 g/mol
Exact Mass313.03
IUPAC Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc12
InChIInChI=1S/C12H6F7NO/c13-10(11(14,15)16,12(17,18)19)6-1-2-8-7(5-6)9(21)3-4-20-8/h1-5H,(H,20,21)
InChIKeyUOADUNDMGTUZTP-UHFFFAOYSA-N
XLogP3.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(trifluoromethylsulfanyl)-1H-quinolin-4-one
CID 86037213
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
8-bromo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 130131648
benzene;1H-quinolin-4-one
CID 175272043
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
CID 172849751
6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
CID 169455919
6-propylsulfanyl-1H-quinolin-4-one
CID 67468428
6-methoxy-1H-quinolin-4-one isocyanate
CID 19004901
5-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 169178050

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one?
The IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one (CID 174912605) is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one is O=c1cc[nH]c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc12.
What is the InChIKey of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one?
The InChIKey is UOADUNDMGTUZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F7NO/c13-10(11(14,15)16,12(17,18)19)6-1-2-8-7(5-6)9(21)3-4-20-8/h1-5H,(H,20,21).
What are the key properties of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one?
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one has a molecular weight of 313.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 174912605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).