8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

C10H9ClFNO2 — CID 83672534

IUPAC8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESO=C(O)C1CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H9ClFNO2/c11-8-4-5(12)3-7-6(10(14)15)1-2-13-9(7)8/h3-4,6,13H,1-2H2,(H,14,15)
InChIKeyRWCZGDHZKNSPFF-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.46
Rot. Bonds1

About 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (PubChem CID 83672534) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
PubChem CID83672534
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Name8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
SMILESO=C(O)C1CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H9ClFNO2/c11-8-4-5(12)3-7-6(10(14)15)1-2-13-9(7)8/h3-4,6,13H,1-2H2,(H,14,15)
InChIKeyRWCZGDHZKNSPFF-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The IUPAC name of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CID 83672534) is 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid.
What is the SMILES notation for 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The canonical SMILES for 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is O=C(O)C1CCNc2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
The InChIKey is RWCZGDHZKNSPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c11-8-4-5(12)3-7-6(10(14)15)1-2-13-9(7)8/h3-4,6,13H,1-2H2,(H,14,15).
What are the key properties of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid?
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid has a molecular weight of 229.64 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid is sourced from PubChem (CID 83672534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).