2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid

C17H16FNO2 — CID 18959605

IUPAC2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCC(c1ccccc1F)N2
InChIInChI=1S/C17H16FNO2/c18-14-4-2-1-3-13(14)16-8-6-12-9-11(10-17(20)21)5-7-15(12)19-16/h1-5,7,9,16,19H,6,8,10H2,(H,20,21)
InChIKeyUVAZDEXWVCASLW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.55
Rot. Bonds3

About 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid

2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid (PubChem CID 18959605) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
PubChem CID18959605
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCC(c1ccccc1F)N2
InChIInChI=1S/C17H16FNO2/c18-14-4-2-1-3-13(14)16-8-6-12-9-11(10-17(20)21)5-7-15(12)19-16/h1-5,7,9,16,19H,6,8,10H2,(H,20,21)
InChIKeyUVAZDEXWVCASLW-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid (CID 18959605) is 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CCC(c1ccccc1F)N2.
What is the InChIKey of 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The InChIKey is UVAZDEXWVCASLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-14-4-2-1-3-13(14)16-8-6-12-9-11(10-17(20)21)5-7-15(12)19-16/h1-5,7,9,16,19H,6,8,10H2,(H,20,21).
What are the key properties of 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid is sourced from PubChem (CID 18959605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).