4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one

C10H8F3NO — CID 70793379

IUPAC4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2C=CC=CC2N1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-6,8H,(H,14,15)
InChIKeyZCHWWNSISBCTEO-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.72
Rot. Bonds

About 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one

4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 70793379) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID70793379
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
SMILESO=C1C=C(C(F)(F)F)C2C=CC=CC2N1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-6,8H,(H,14,15)
InChIKeyZCHWWNSISBCTEO-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cambridge id 5152411
CID 6456052
2,2-Dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
CID 44427287
7-Fluoro-2,2-dimethyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
CID 59454122
6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 70849046
1-Methyl-7-(methylamino)-4-(trifluoromethyl)-7,8-dihydroquinolin-2-one
CID 123731183
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345
2,2,2-trifluoro-N-[(1S)-4-(oxomethylidene)-2,3,4a,5-tetrahydro-1H-naphthalen-1-yl]acetamide
CID 141529105
2-Iodo-2-methyl-6-(trifluoromethyl)-1,5a,9,9a-tetrahydropyrido[3,2-g]quinolin-8-one
CID 144046408
N-[(1R)-1-cyclohexa-1,5-dien-1-ylprop-2-enyl]-2,2,2-trifluoroacetamide
CID 155184251
7-pyrrolidin-1-yl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 159459013
5-fluoro-3,8a-dihydro-2H-isoquinolin-1-one
CID 172533493
Rac-n-[(1r,6r)-6-(trifluoromethyl)cyclohex-3-en-1-yl]prop-2-enamide
CID 136588918

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one (CID 70793379) is 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one is O=C1C=C(C(F)(F)F)C2C=CC=CC2N1.
What is the InChIKey of 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is ZCHWWNSISBCTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-6,8H,(H,14,15).
What are the key properties of 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 215.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70793379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).