(E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol

C17H12F6OSe2 — CID 134931865

IUPAC(E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol
SMILESOC/C(=C\[Se]c1ccc(C(F)(F)F)cc1)[Se]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F6OSe2/c18-16(19,20)11-1-5-13(6-2-11)25-10-15(9-24)26-14-7-3-12(4-8-14)17(21,22)23/h1-8,10,24H,9H2/b15-10+
InChIKeyUMWMAYVYWNOJQV-XNTDXEJSSA-N
MW504.19 g/mol
LogP2.92
Rot. Bonds5

About (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol

(E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol (PubChem CID 134931865) has the molecular formula C17H12F6OSe2 and a molecular weight of 504.19 g/mol. Its IUPAC name is (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol
PubChem CID134931865
Molecular FormulaC17H12F6OSe2
Molecular Weight504.19 g/mol
Exact Mass505.91
IUPAC Name(E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol
SMILESOC/C(=C\[Se]c1ccc(C(F)(F)F)cc1)[Se]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F6OSe2/c18-16(19,20)11-1-5-13(6-2-11)25-10-15(9-24)26-14-7-3-12(4-8-14)17(21,22)23/h1-8,10,24H,9H2/b15-10+
InChIKeyUMWMAYVYWNOJQV-XNTDXEJSSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 6456465
(2E)-3-(3-fluorophenyl)prop-2-en-1-ol
CID 11051851
(2E)-3-[3-(Trifluoromethyl)phenyl]-2-propen-1-ol
CID 19773124
1-Phenyl-3-hydroxy-2-fluoropropene-1
CID 5373295
(Z)-2-fluoro-3-phenylprop-2-en-1-ol
CID 6537041
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 10176582
(E)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-ol
CID 10512285
(e)-1-(2,4-Difluorophenyl)-3-hydroxy-5-phenyl-4-penten-1-yne
CID 102383487
(E)-3-(4-Fluorophenyl)prop-2-EN-1-OL
CID 13371325
(E)-3-(2,3-Difluorophenyl)prop-2-EN-1-OL
CID 50900984
3-(4-Fluorophenyl)-2-propene-1-ol
CID 53401765
(E)-3-(2-Fluorophenyl)prop-2-EN-1-OL
CID 54775823

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
The IUPAC name of (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol (CID 134931865) is (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
The canonical SMILES for (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol is OC/C(=C\[Se]c1ccc(C(F)(F)F)cc1)[Se]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
The InChIKey is UMWMAYVYWNOJQV-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H12F6OSe2/c18-16(19,20)11-1-5-13(6-2-11)25-10-15(9-24)26-14-7-3-12(4-8-14)17(21,22)23/h1-8,10,24H,9H2/b15-10+.
What are the key properties of (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
(E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol has a molecular weight of 504.19 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol is sourced from PubChem (CID 134931865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).