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

C17H12F6OSe2 — CID 134931866

IUPAC(Z)-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-GDNBJRDFSA-N
MW504.19 g/mol
LogP2.92
Rot. Bonds5

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

(Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol (PubChem CID 134931866) has the molecular formula C17H12F6OSe2 and a molecular weight of 504.19 g/mol. Its IUPAC name is (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol
PubChem CID134931866
Molecular FormulaC17H12F6OSe2
Molecular Weight504.19 g/mol
Exact Mass505.91
IUPAC Name(Z)-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-GDNBJRDFSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
The IUPAC name of (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol (CID 134931866) is (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
The canonical SMILES for (Z)-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 (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
The InChIKey is UMWMAYVYWNOJQV-GDNBJRDFSA-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 (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol?
(Z)-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 (Z)-2,3-bis[[4-(trifluoromethyl)phenyl]selanyl]prop-2-en-1-ol is sourced from PubChem (CID 134931866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).