2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid

C13H14F3NO2 — CID 117193393

IUPAC2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)CCc2c(cccc2C(F)(F)F)N1
InChIInChI=1S/C13H14F3NO2/c1-2-12(11(18)19)7-6-8-9(13(14,15)16)4-3-5-10(8)17-12/h3-5,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyOLFYKHZCMQGLLY-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.30
Rot. Bonds2

About 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid

2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid (PubChem CID 117193393) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
PubChem CID117193393
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
SMILESCCC1(C(=O)O)CCc2c(cccc2C(F)(F)F)N1
InChIInChI=1S/C13H14F3NO2/c1-2-12(11(18)19)7-6-8-9(13(14,15)16)4-3-5-10(8)17-12/h3-5,17H,2,6-7H2,1H3,(H,18,19)
InChIKeyOLFYKHZCMQGLLY-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193423
2-methyl-4-(trifluoromethyl)-1,3-dihydroindole-2-carboxylic acid
CID 117193277
2-ethyl-7-(trifluoromethyl)-1,3-dihydroindole-2-carboxylic acid
CID 117193365
methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193420
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 162620911
2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193502
4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 117198099
3-ethyl-7-(trifluoromethyl)-2H-1-benzofuran-3-carboxylic acid
CID 135311406
(2R)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761894
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83062907
8-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096863
acetic acid;acetyl acetate;2-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 90984715

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The IUPAC name of 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid (CID 117193393) is 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid is CCC1(C(=O)O)CCc2c(cccc2C(F)(F)F)N1.
What is the InChIKey of 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid?
The InChIKey is OLFYKHZCMQGLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-12(11(18)19)7-6-8-9(13(14,15)16)4-3-5-10(8)17-12/h3-5,17H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid?
2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 117193393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).