2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol

C22H13F4NO2 — CID 175247423

IUPAC2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol
SMILESOc1ccc(-c2cc(C(F)(F)F)c3cc(-c4ccccc4O)ccc3n2)cc1F
InChIInChI=1S/C22H13F4NO2/c23-17-10-13(6-8-21(17)29)19-11-16(22(24,25)26)15-9-12(5-7-18(15)27-19)14-3-1-2-4-20(14)28/h1-11,28-29H
InChIKeyFQVBOYNAJRDOSA-UHFFFAOYSA-N
MW399.34 g/mol
LogP6.14
Rot. Bonds2

About 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol

2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol (PubChem CID 175247423) has the molecular formula C22H13F4NO2 and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol
PubChem CID175247423
Molecular FormulaC22H13F4NO2
Molecular Weight399.34 g/mol
Exact Mass399.09
IUPAC Name2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol
SMILESOc1ccc(-c2cc(C(F)(F)F)c3cc(-c4ccccc4O)ccc3n2)cc1F
InChIInChI=1S/C22H13F4NO2/c23-17-10-13(6-8-21(17)29)19-11-16(22(24,25)26)15-9-12(5-7-18(15)27-19)14-3-1-2-4-20(14)28/h1-11,28-29H
InChIKeyFQVBOYNAJRDOSA-UHFFFAOYSA-N
XLogP6.14
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.34
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol?
The IUPAC name of 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol (CID 175247423) is 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol is Oc1ccc(-c2cc(C(F)(F)F)c3cc(-c4ccccc4O)ccc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol?
The InChIKey is FQVBOYNAJRDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4NO2/c23-17-10-13(6-8-21(17)29)19-11-16(22(24,25)26)15-9-12(5-7-18(15)27-19)14-3-1-2-4-20(14)28/h1-11,28-29H.
What are the key properties of 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol?
2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol has a molecular weight of 399.34 g/mol, XLogP of 6.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-(2-hydroxyphenyl)-4-(trifluoromethyl)quinolin-2-yl]phenol is sourced from PubChem (CID 175247423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).