5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid

C11H8F3NO2 — CID 91584099

IUPAC5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid
SMILESO=C(O)C1=Nc2cccc(C(F)(F)F)c2CC1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8-6(7)4-5-9(15-8)10(16)17/h1-3H,4-5H2,(H,16,17)
InChIKeyHQZQRULQMKRWGI-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.81
Rot. Bonds1

About 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid

5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid (PubChem CID 91584099) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid
PubChem CID91584099
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid
SMILESO=C(O)C1=Nc2cccc(C(F)(F)F)c2CC1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8-6(7)4-5-9(15-8)10(16)17/h1-3H,4-5H2,(H,16,17)
InChIKeyHQZQRULQMKRWGI-UHFFFAOYSA-N
XLogP2.81
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid (CID 91584099) is 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid is O=C(O)C1=Nc2cccc(C(F)(F)F)c2CC1.
What is the InChIKey of 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid?
The InChIKey is HQZQRULQMKRWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)7-2-1-3-8-6(7)4-5-9(15-8)10(16)17/h1-3H,4-5H2,(H,16,17).
What are the key properties of 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid?
5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid has a molecular weight of 243.18 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3,4-dihydroquinoline-2-carboxylic acid is sourced from PubChem (CID 91584099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).