3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline

C17H12F3N — CID 132515262

IUPAC3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc2ccccc2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N/c1-11-10-12-6-2-5-9-15(12)21-16(11)13-7-3-4-8-14(13)17(18,19)20/h2-10H,1H3
InChIKeyGAFFADCQEIWHAZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.23
Rot. Bonds1

About 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline

3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline (PubChem CID 132515262) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
PubChem CID132515262
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc2ccccc2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N/c1-11-10-12-6-2-5-9-15(12)21-16(11)13-7-3-4-8-14(13)17(18,19)20/h2-10H,1H3
InChIKeyGAFFADCQEIWHAZ-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
CID 67688678
5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722143
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
iridium;3-methyl-2-phenylquinoline
CID 174474394
2,3,5-trifluoro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 118848870
4-N,6-dimethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983474
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
2,3-diphenyl-6-[2-phenyl-3-[2-(trifluoromethyl)phenyl]quinoxalin-6-yl]quinoxaline
CID 59800544
N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 163204141
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline (CID 132515262) is 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline is Cc1cc2ccccc2nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline?
The InChIKey is GAFFADCQEIWHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c1-11-10-12-6-2-5-9-15(12)21-16(11)13-7-3-4-8-14(13)17(18,19)20/h2-10H,1H3.
What are the key properties of 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline?
3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline has a molecular weight of 287.28 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 132515262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).