3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one

C14H9ClF7NO — CID 141395526

IUPAC3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2c(=O)c1Cl
InChIInChI=1S/C14H9ClF7NO/c1-5-3-7(12(16,13(17,18)19)14(20,21)22)4-8-10(5)23-6(2)9(15)11(8)24/h3-4H,1-2H3,(H,23,24)
InChIKeySNAILMJXAWRMET-UHFFFAOYSA-N
MW375.67 g/mol
LogP5.09
Rot. Bonds1

About 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one

3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one (PubChem CID 141395526) has the molecular formula C14H9ClF7NO and a molecular weight of 375.67 g/mol. Its IUPAC name is 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one
PubChem CID141395526
Molecular FormulaC14H9ClF7NO
Molecular Weight375.67 g/mol
Exact Mass375.03
IUPAC Name3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2c(=O)c1Cl
InChIInChI=1S/C14H9ClF7NO/c1-5-3-7(12(16,13(17,18)19)14(20,21)22)4-8-10(5)23-6(2)9(15)11(8)24/h3-4H,1-2H3,(H,23,24)
InChIKeySNAILMJXAWRMET-UHFFFAOYSA-N
XLogP5.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.67
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one with MolForge

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Related Compounds

3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
3,6,8-trichloro-2-methyl-1H-quinolin-4-one
CID 121236859
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 170859899
2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylaniline
CID 96536452
6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
CID 104845926
N-(2,3,8-trimethyl-4-oxo-1H-quinolin-6-yl)acetamide
CID 125463946
2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one
CID 62913487
6-bromo-3-chloro-5-fluoro-2-methyl-1H-quinolin-4-one;6-bromo-3-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 158216445
6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63743884
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
CID 54891238

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one (CID 141395526) is 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one is Cc1[nH]c2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2c(=O)c1Cl.
What is the InChIKey of 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one?
The InChIKey is SNAILMJXAWRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF7NO/c1-5-3-7(12(16,13(17,18)19)14(20,21)22)4-8-10(5)23-6(2)9(15)11(8)24/h3-4H,1-2H3,(H,23,24).
What are the key properties of 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one?
3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one has a molecular weight of 375.67 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 141395526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).