2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane

C23H17F3O2 — CID 88977792

IUPAC2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane
SMILESC=Cc1ccc(OCc2ccc(-c3ccc(C4CO4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C23H17F3O2/c1-2-15-8-10-20(23(26)22(15)25)27-12-14-3-5-16(6-4-14)17-7-9-18(19(24)11-17)21-13-28-21/h2-11,21H,1,12-13H2
InChIKeyJAAAVDIKNUCNLW-UHFFFAOYSA-N
MW382.38 g/mol
LogP6.06
Rot. Bonds6

About 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane

2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane (PubChem CID 88977792) has the molecular formula C23H17F3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane.

Molecular Properties

Compound Name2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane
PubChem CID88977792
Molecular FormulaC23H17F3O2
Molecular Weight382.38 g/mol
Exact Mass382.12
IUPAC Name2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane
SMILESC=Cc1ccc(OCc2ccc(-c3ccc(C4CO4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C23H17F3O2/c1-2-15-8-10-20(23(26)22(15)25)27-12-14-3-5-16(6-4-14)17-7-9-18(19(24)11-17)21-13-28-21/h2-11,21H,1,12-13H2
InChIKeyJAAAVDIKNUCNLW-UHFFFAOYSA-N
XLogP6.06
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[[4-(4-ethenylcyclohexyl)-2,3-difluorophenoxy]methyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88963935
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
2-[4-[4-[(E)-2-[4-(4-ethenylphenyl)-2,3-difluorophenyl]ethenyl]phenyl]-2-fluorophenyl]oxirane
CID 89124727
5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-2-fluorophenyl]oxane
CID 126764559
1-[4-[4-[4-[[2,3-difluoro-4-(oxiran-2-yl)phenoxy]methyl]phenyl]-2,3-difluorophenyl]phenyl]butan-1-ol
CID 89124722
2-[4-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732567
2,3-difluoro-1-[[4-(3-fluoro-4-pent-4-enoxyphenyl)phenyl]methoxy]-4-methylbenzene
CID 58140653
2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane
CID 88589807
[2,3-difluoro-4-(4-propylphenyl)phenyl] 4-[3-fluoro-4-(oxiran-2-yl)phenyl]benzoate
CID 88953481
CID 88998279
CID 88998279
5-ethenyl-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane
CID 126765337
2-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-5-[(E)-prop-1-enyl]oxane
CID 67732599

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane?
The IUPAC name of 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane (CID 88977792) is 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane.
What is the SMILES notation for 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane?
The canonical SMILES for 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane is C=Cc1ccc(OCc2ccc(-c3ccc(C4CO4)c(F)c3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane?
The InChIKey is JAAAVDIKNUCNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3O2/c1-2-15-8-10-20(23(26)22(15)25)27-12-14-3-5-16(6-4-14)17-7-9-18(19(24)11-17)21-13-28-21/h2-11,21H,1,12-13H2.
What are the key properties of 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane?
2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane has a molecular weight of 382.38 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane is sourced from PubChem (CID 88977792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).