(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol

C25H20F2N2O — CID 24799040

IUPAC(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C(F)=C(/F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H20F2N2O/c26-22(17-30)24(27)23-16-29(18-28-23)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,30H,17H2/b24-22-
InChIKeyTZUWPNQQPVMTNB-GYHWCHFESA-N
MW402.44 g/mol
LogP5.32
Rot. Bonds6

About (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol

(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol (PubChem CID 24799040) has the molecular formula C25H20F2N2O and a molecular weight of 402.44 g/mol. Its IUPAC name is (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
PubChem CID24799040
Molecular FormulaC25H20F2N2O
Molecular Weight402.44 g/mol
Exact Mass402.15
IUPAC Name(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol
SMILESOC/C(F)=C(/F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H20F2N2O/c26-22(17-30)24(27)23-16-29(18-28-23)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,30H,17H2/b24-22-
InChIKeyTZUWPNQQPVMTNB-GYHWCHFESA-N
XLogP5.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol (CID 24799040) is (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol is OC/C(F)=C(/F)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
The InChIKey is TZUWPNQQPVMTNB-GYHWCHFESA-N. The full InChI is InChI=1S/C25H20F2N2O/c26-22(17-30)24(27)23-16-29(18-28-23)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,30H,17H2/b24-22-.
What are the key properties of (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol?
(Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol has a molecular weight of 402.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-difluoro-3-(1-tritylimidazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 24799040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).