(5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one

C10H11F2NO — CID 164583382

IUPAC(5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one
SMILESC[C@@H]1CCC(F)(F)c2[nH]ccc(=O)c21
InChIInChI=1S/C10H11F2NO/c1-6-2-4-10(11,12)9-8(6)7(14)3-5-13-9/h3,5-6H,2,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyXOFYBQQIKHIUJZ-ZCFIWIBFSA-N
MW199.20 g/mol
LogP2.36
Rot. Bonds

About (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one

(5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one (PubChem CID 164583382) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one.

Molecular Properties

Compound Name(5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one
PubChem CID164583382
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one
SMILESC[C@@H]1CCC(F)(F)c2[nH]ccc(=O)c21
InChIInChI=1S/C10H11F2NO/c1-6-2-4-10(11,12)9-8(6)7(14)3-5-13-9/h3,5-6H,2,4H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyXOFYBQQIKHIUJZ-ZCFIWIBFSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,5,6,7,8-Hexahydroquinolin-4-one
CID 17989211
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285879
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285891
(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164581919
6,6-Difluoro-5-methyl-1,5,7,8-tetrahydroquinolin-4-one
CID 164581931
5-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582052
(5R)-5-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582087
(5S)-5-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582660
(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582997
(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583505
(5R,8R)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583537
(5S)-5-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583561

Frequently Asked Questions

What is the IUPAC name of (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one?
The IUPAC name of (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one (CID 164583382) is (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one.
What is the SMILES notation for (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one?
The canonical SMILES for (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one is C[C@@H]1CCC(F)(F)c2[nH]ccc(=O)c21.
What is the InChIKey of (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one?
The InChIKey is XOFYBQQIKHIUJZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6-2-4-10(11,12)9-8(6)7(14)3-5-13-9/h3,5-6H,2,4H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one?
(5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one has a molecular weight of 199.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8,8-difluoro-5-methyl-1,5,6,7-tetrahydroquinolin-4-one is sourced from PubChem (CID 164583382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).