8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

C11H9ClF3NO2 — CID 82626778

IUPAC8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESO=C(O)C1CCNc2c(Cl)ccc(C(F)(F)F)c21
InChIInChI=1S/C11H9ClF3NO2/c12-7-2-1-6(11(13,14)15)8-5(10(17)18)3-4-16-9(7)8/h1-2,5,16H,3-4H2,(H,17,18)
InChIKeySYULNLWFZMWWHG-UHFFFAOYSA-N
MW279.64 g/mol
LogP3.34
Rot. Bonds1

About 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 82626778) has the molecular formula C11H9ClF3NO2 and a molecular weight of 279.64 g/mol. Its IUPAC name is 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID82626778
Molecular FormulaC11H9ClF3NO2
Molecular Weight279.64 g/mol
Exact Mass279.03
IUPAC Name8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESO=C(O)C1CCNc2c(Cl)ccc(C(F)(F)F)c21
InChIInChI=1S/C11H9ClF3NO2/c12-7-2-1-6(11(13,14)15)8-5(10(17)18)3-4-16-9(7)8/h1-2,5,16H,3-4H2,(H,17,18)
InChIKeySYULNLWFZMWWHG-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.64
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 82626778) is 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is O=C(O)C1CCNc2c(Cl)ccc(C(F)(F)F)c21.
What is the InChIKey of 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is SYULNLWFZMWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO2/c12-7-2-1-6(11(13,14)15)8-5(10(17)18)3-4-16-9(7)8/h1-2,5,16H,3-4H2,(H,17,18).
What are the key properties of 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 279.64 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82626778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).