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

C10H10FNO2 — CID 71695410

IUPAC6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)C1CNc2ccc(F)cc2C1
InChIInChI=1S/C10H10FNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-2,4,7,12H,3,5H2,(H,13,14)
InChIKeyZTBRMAQMEWGQHX-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.49
Rot. Bonds1

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

6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 71695410) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID71695410
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)C1CNc2ccc(F)cc2C1
InChIInChI=1S/C10H10FNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-2,4,7,12H,3,5H2,(H,13,14)
InChIKeyZTBRMAQMEWGQHX-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3124342
1,2,3,3a,4,5-Hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid
CID 4968024
Ethyl (1,2,3,4-tetrahydroquinolin-2-yl)acetate
CID 10822751
1,2,3,4-Tetrahydroquinoline-2-carboxylic acid
CID 12877794
1,2,3,4-Tetrahydroquinoline-4-carboxylic acid
CID 13931067
6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 4715351
8-(Trifluoromethyl)-1H,2H,3H,4H,4AH,5H,6H-pyrido[1,2-A]quinoline-5-carboxylic acid
CID 45955992
8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 3707522
1,2,3,4-Tetrahydroquinoline-4-carboxylic acid hydrochloride
CID 13931068
(8-Fluoro-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 24265810
Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate
CID 283526
3-(2-Oxo-1,2,3,4-tetrahydroquinolin-3-yl)propanoic acid
CID 16227583

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 71695410) is 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is O=C(O)C1CNc2ccc(F)cc2C1.
What is the InChIKey of 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is ZTBRMAQMEWGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-2,4,7,12H,3,5H2,(H,13,14).
What are the key properties of 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 71695410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).