7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid

C12H9F4NO2 — CID 142820736

IUPAC7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
SMILESCc1cc2c(cc1F)NC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H9F4NO2/c1-5-2-6-3-7(11(18)19)10(12(14,15)16)17-9(6)4-8(5)13/h2-4,10,17H,1H3,(H,18,19)
InChIKeyXQJKBTGPMZJSBL-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.96
Rot. Bonds1

About 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid

7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid (PubChem CID 142820736) has the molecular formula C12H9F4NO2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
PubChem CID142820736
Molecular FormulaC12H9F4NO2
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Name7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
SMILESCc1cc2c(cc1F)NC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C12H9F4NO2/c1-5-2-6-3-7(11(18)19)10(12(14,15)16)17-9(6)4-8(5)13/h2-4,10,17H,1H3,(H,18,19)
InChIKeyXQJKBTGPMZJSBL-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid (CID 142820736) is 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid is Cc1cc2c(cc1F)NC(C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
The InChIKey is XQJKBTGPMZJSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO2/c1-5-2-6-3-7(11(18)19)10(12(14,15)16)17-9(6)4-8(5)13/h2-4,10,17H,1H3,(H,18,19).
What are the key properties of 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid?
7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid has a molecular weight of 275.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 142820736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).