6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline

C13H14F3N — CID 143910935

IUPAC6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline
SMILESCCC1C=c2ccc(CC(F)(F)F)nc2=CC1
InChIInChI=1S/C13H14F3N/c1-2-9-3-6-12-10(7-9)4-5-11(17-12)8-13(14,15)16/h4-7,9H,2-3,8H2,1H3
InChIKeyVSWNNONMIZCGEM-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.18
Rot. Bonds2

About 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline

6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline (PubChem CID 143910935) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline.

Molecular Properties

Compound Name6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline
PubChem CID143910935
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline
SMILESCCC1C=c2ccc(CC(F)(F)F)nc2=CC1
InChIInChI=1S/C13H14F3N/c1-2-9-3-6-12-10(7-9)4-5-11(17-12)8-13(14,15)16/h4-7,9H,2-3,8H2,1H3
InChIKeyVSWNNONMIZCGEM-UHFFFAOYSA-N
XLogP2.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,7-dihydroquinolin-6-yl]but-3-en-1-imine
CID 91099059
1-[(E)-pent-2-en-2-yl]-4-(2,2,2-trifluoroethyl)benzene
CID 138652147
(4-ethylcyclohexa-1,5-dien-1-yl)benzene
CID 143614396
(4-ethyl-1,3-thiazol-2-yl)imino-methyl-oxo-[[6-(trifluoromethyl)-3,4-dihydropyridin-3-yl]methyl]-λ6-sulfane
CID 162558793
1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 177368110
1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 62366704
3-fluoro-1-(2,2,2-trifluoroethyl)cyclopropene
CID 162541985
N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62284048
6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62282477
2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 166803282
2,6-dimethyl-3,5-bis(2,2,2-trifluoroethyl)pyridine
CID 150480476
6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 63354385

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline?
The IUPAC name of 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline (CID 143910935) is 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline.
What is the SMILES notation for 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline?
The canonical SMILES for 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline is CCC1C=c2ccc(CC(F)(F)F)nc2=CC1.
What is the InChIKey of 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline?
The InChIKey is VSWNNONMIZCGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-2-9-3-6-12-10(7-9)4-5-11(17-12)8-13(14,15)16/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline?
6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline has a molecular weight of 241.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2,2,2-trifluoroethyl)-6,7-dihydroquinoline is sourced from PubChem (CID 143910935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).