4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline

C13H15F4NO — CID 118302759

IUPAC4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline
SMILESCCOC1CCN(CC(F)(F)F)c2c(F)cccc21
InChIInChI=1S/C13H15F4NO/c1-2-19-11-6-7-18(8-13(15,16)17)12-9(11)4-3-5-10(12)14/h3-5,11H,2,6-8H2,1H3
InChIKeyFDDMWCRXQQVUIR-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.68
Rot. Bonds3

About 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline

4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline (PubChem CID 118302759) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline
PubChem CID118302759
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline
SMILESCCOC1CCN(CC(F)(F)F)c2c(F)cccc21
InChIInChI=1S/C13H15F4NO/c1-2-19-11-6-7-18(8-13(15,16)17)12-9(11)4-3-5-10(12)14/h3-5,11H,2,6-8H2,1H3
InChIKeyFDDMWCRXQQVUIR-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-Fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol
CID 114067404
(3aR)-8-fluoro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a][3,1]benzoxazine
CID 134862659
4-Trifluoroethoxy-1,2,2,3-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 139243632
N,N-diethyl-2-[(2R,3R)-3-(2,2,2-trifluoroethyl)oxiran-2-yl]aniline
CID 164666714
5-methyl-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline
CID 4594013
N-ethyl-4-ethoxy-2-methylquinoline
CID 20073700
4-Methyl-1,4-dihydro-2h-3,1-benzoxazine
CID 55299385
p-Methoxy-tetrahydrochinolin
CID 82275496
2-Methyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
CID 4111692
1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 2741154
6-Fluoro-4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 20562122
4,4-Dimethyl-2-(trifluoromethyl)-1,2-dihydro-3,1-benzoxazine
CID 54022423

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline (CID 118302759) is 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline is CCOC1CCN(CC(F)(F)F)c2c(F)cccc21.
What is the InChIKey of 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is FDDMWCRXQQVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-2-19-11-6-7-18(8-13(15,16)17)12-9(11)4-3-5-10(12)14/h3-5,11H,2,6-8H2,1H3.
What are the key properties of 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline?
4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 277.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-8-fluoro-1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118302759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).