(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol

C17H11F3N2O — CID 177416740

IUPAC(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol
SMILESO/C(=C\c1nc2ccccc2nc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)16-14(10-15(23)11-6-2-1-3-7-11)21-12-8-4-5-9-13(12)22-16/h1-10,23H/b15-10-
InChIKeyPGIWWAXQGLDLKO-GDNBJRDFSA-N
MW316.28 g/mol
LogP4.70
Rot. Bonds2

About (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol

(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol (PubChem CID 177416740) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol.

Molecular Properties

Compound Name(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol
PubChem CID177416740
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol
SMILESO/C(=C\c1nc2ccccc2nc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)16-14(10-15(23)11-6-2-1-3-7-11)21-12-8-4-5-9-13(12)22-16/h1-10,23H/b15-10-
InChIKeyPGIWWAXQGLDLKO-GDNBJRDFSA-N
XLogP4.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
CID 507219
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041
2-[(E)-prop-1-enyl]-3-(trifluoromethyl)quinoxaline
CID 58328016
3-[(Z)-2-hydroxy-2-phenylethenyl]-1,4-benzothiazin-2-one
CID 135512928
(Z)-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethenol
CID 136815132
2-[(Z)-2-hydroxy-2-phenylethenyl]-3,1-benzoxazin-4-one
CID 135442904
2,3-bis(2-phenyl-2-phenylsulfanylethenyl)quinoxaline
CID 139835702
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
CID 1493865
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
3-(2-hydroxy-2-phenylethenyl)-6-methyl-1,4-benzoxazin-2-one
CID 705110

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol?
The IUPAC name of (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol (CID 177416740) is (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol.
What is the SMILES notation for (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol?
The canonical SMILES for (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol is O/C(=C\c1nc2ccccc2nc1C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol?
The InChIKey is PGIWWAXQGLDLKO-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)16-14(10-15(23)11-6-2-1-3-7-11)21-12-8-4-5-9-13(12)22-16/h1-10,23H/b15-10-.
What are the key properties of (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol?
(Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol has a molecular weight of 316.28 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]ethenol is sourced from PubChem (CID 177416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).