2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid

C18H16F3NO2 — CID 18959606

IUPAC2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
SMILESO=C(O)Cc1cc2c(c(-c3ccccc3)c1)NC(C(F)(F)F)CC2
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)15-7-6-13-8-11(10-16(23)24)9-14(17(13)22-15)12-4-2-1-3-5-12/h1-5,8-9,15,22H,6-7,10H2,(H,23,24)
InChIKeyWPXRYICADGOFML-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.27
Rot. Bonds3

About 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid

2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid (PubChem CID 18959606) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
PubChem CID18959606
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
SMILESO=C(O)Cc1cc2c(c(-c3ccccc3)c1)NC(C(F)(F)F)CC2
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)15-7-6-13-8-11(10-16(23)24)9-14(17(13)22-15)12-4-2-1-3-5-12/h1-5,8-9,15,22H,6-7,10H2,(H,23,24)
InChIKeyWPXRYICADGOFML-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The IUPAC name of 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid (CID 18959606) is 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The canonical SMILES for 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid is O=C(O)Cc1cc2c(c(-c3ccccc3)c1)NC(C(F)(F)F)CC2.
What is the InChIKey of 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The InChIKey is WPXRYICADGOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)15-7-6-13-8-11(10-16(23)24)9-14(17(13)22-15)12-4-2-1-3-5-12/h1-5,8-9,15,22H,6-7,10H2,(H,23,24).
What are the key properties of 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid has a molecular weight of 335.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid is sourced from PubChem (CID 18959606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).