6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one

C16H16F3NO — CID 69108230

IUPAC6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C3=CCC(C(F)(F)F)CC3)ccc2N1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1,3,7,9,13H,2,4-6,8H2,(H,20,21)
InChIKeyXAORPHOAKOAIEZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.32
Rot. Bonds1

About 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 69108230) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID69108230
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C3=CCC(C(F)(F)F)CC3)ccc2N1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1,3,7,9,13H,2,4-6,8H2,(H,20,21)
InChIKeyXAORPHOAKOAIEZ-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-propan-2-ylcyclohexen-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 69108288
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-3,4-dihydro-1H-quinolin-2-one
CID 23471549
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 69108230) is 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C3=CCC(C(F)(F)F)CC3)ccc2N1.
What is the InChIKey of 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XAORPHOAKOAIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1,3,7,9,13H,2,4-6,8H2,(H,20,21).
What are the key properties of 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 295.30 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)cyclohexen-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 69108230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).