2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline

C13H16F3N — CID 117272157

IUPAC2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
SMILESCC1CC(C)(C)c2cccc(C(F)(F)F)c2N1
InChIInChI=1S/C13H16F3N/c1-8-7-12(2,3)9-5-4-6-10(11(9)17-8)13(14,15)16/h4-6,8,17H,7H2,1-3H3
InChIKeyZMBHPWNVTGAREK-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.19
Rot. Bonds

About 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline

2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline (PubChem CID 117272157) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
PubChem CID117272157
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
SMILESCC1CC(C)(C)c2cccc(C(F)(F)F)c2N1
InChIInChI=1S/C13H16F3N/c1-8-7-12(2,3)9-5-4-6-10(11(9)17-8)13(14,15)16/h4-6,8,17H,7H2,1-3H3
InChIKeyZMBHPWNVTGAREK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The IUPAC name of 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline (CID 117272157) is 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The canonical SMILES for 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline is CC1CC(C)(C)c2cccc(C(F)(F)F)c2N1.
What is the InChIKey of 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The InChIKey is ZMBHPWNVTGAREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-7-12(2,3)9-5-4-6-10(11(9)17-8)13(14,15)16/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline has a molecular weight of 243.27 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 117272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).