7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline

C11H10F3N — CID 163504800

IUPAC7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline
SMILESCC1=CCC2C=C(C(F)(F)F)C=NC2=C1
InChIInChI=1S/C11H10F3N/c1-7-2-3-8-5-9(11(12,13)14)6-15-10(8)4-7/h2,4-6,8H,3H2,1H3
InChIKeyCXRPRBNHOUIWQW-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.41
Rot. Bonds

About 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline

7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline (PubChem CID 163504800) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline.

Molecular Properties

Compound Name7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline
PubChem CID163504800
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline
SMILESCC1=CCC2C=C(C(F)(F)F)C=NC2=C1
InChIInChI=1S/C11H10F3N/c1-7-2-3-8-5-9(11(12,13)14)6-15-10(8)4-7/h2,4-6,8H,3H2,1H3
InChIKeyCXRPRBNHOUIWQW-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(Trifluoromethyl)-6,7-dihydroquinoline
CID 123382262
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
CID 129276493
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
4,5-Difluoro-7-methyl-6,7-dihydroquinoline
CID 147742277
7-Fluoro-8-(fluoromethyl)-4a,5-dihydroquinoline
CID 164006747
(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 176958303
(2Z)-N-(3,3-difluoroprop-1-en-2-yl)-4-methyl-2-propan-2-ylpenta-2,4-dien-1-imine
CID 162575837
6-Methylidene-5-propan-2-yl-2-(trifluoromethyl)azepine
CID 162614365
1-methylidene-8aH-isoquinoline
CID 72577554
3,6,6-trimethyl-7H-isoquinoline
CID 89038768
4,7-Dimethyl-6,7-dihydroquinoline
CID 89495207
8-Methyl-4a,5-dihydroquinoline
CID 123376596

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline?
The IUPAC name of 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline (CID 163504800) is 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline.
What is the SMILES notation for 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline?
The canonical SMILES for 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline is CC1=CCC2C=C(C(F)(F)F)C=NC2=C1.
What is the InChIKey of 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline?
The InChIKey is CXRPRBNHOUIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-7-2-3-8-5-9(11(12,13)14)6-15-10(8)4-7/h2,4-6,8H,3H2,1H3.
What are the key properties of 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline?
7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline has a molecular weight of 213.20 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(trifluoromethyl)-4a,5-dihydroquinoline is sourced from PubChem (CID 163504800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).