2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C12H12F3NO — CID 62491976

IUPAC2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-8-4-5-10-9(7-8)3-2-6-16(10)11(17)12(13,14)15/h4-5,7H,2-3,6H2,1H3
InChIKeyFRASTSFWFPANBS-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.84
Rot. Bonds

About 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 62491976) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID62491976
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO/c1-8-4-5-10-9(7-8)3-2-6-16(10)11(17)12(13,14)15/h4-5,7H,2-3,6H2,1H3
InChIKeyFRASTSFWFPANBS-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Torcetrapib
CID 159325
CP-532623
CID 10145345
AS-601811
CID 10220187
LG-121071
CID 9839132
1,4-Dimethyl-2-quinolone
CID 97252
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
2-Chloro-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CID 240137
1-(1,2,3,4-Tetrahydroquinolin-1-yl)ethan-1-one
CID 347850
1-[3-(4-Fluorophenyl)acryloyl]-1,2,3,4-tetrahydroquinoline
CID 773758
2-Chloro-1-(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
CID 3155802
3,4-Dihydro-6-methyl-1(2H)-quinolinecarboxaldehyde
CID 98729
1-(2,2,4-trimethyl-3,4-dihydroquinolin-l (2H)-yl)ethanone
CID 2835201

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 62491976) is 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1ccc2c(c1)CCCN2C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is FRASTSFWFPANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-8-4-5-10-9(7-8)3-2-6-16(10)11(17)12(13,14)15/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 243.23 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 62491976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).