6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

C11H8Cl2F3NO2 — CID 22638956

IUPAC6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)cc(Cl)c2NC1C(F)(F)F
InChIInChI=1S/C11H8Cl2F3NO2/c12-5-1-4-2-6(10(18)19)9(11(14,15)16)17-8(4)7(13)3-5/h1,3,6,9,17H,2H2,(H,18,19)
InChIKeyKRXQACLEVHZKCB-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.59
Rot. Bonds1

About 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 22638956) has the molecular formula C11H8Cl2F3NO2 and a molecular weight of 314.09 g/mol. Its IUPAC name is 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID22638956
Molecular FormulaC11H8Cl2F3NO2
Molecular Weight314.09 g/mol
Exact Mass312.99
IUPAC Name6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)cc(Cl)c2NC1C(F)(F)F
InChIInChI=1S/C11H8Cl2F3NO2/c12-5-1-4-2-6(10(18)19)9(11(14,15)16)17-8(4)7(13)3-5/h1,3,6,9,17H,2H2,(H,18,19)
InChIKeyKRXQACLEVHZKCB-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 22638956) is 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is O=C(O)C1Cc2cc(Cl)cc(Cl)c2NC1C(F)(F)F.
What is the InChIKey of 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is KRXQACLEVHZKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3NO2/c12-5-1-4-2-6(10(18)19)9(11(14,15)16)17-8(4)7(13)3-5/h1,3,6,9,17H,2H2,(H,18,19).
What are the key properties of 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 314.09 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 22638956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).