2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane

C23H23F3O2 — CID 88589807

IUPAC2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane
SMILESC=Cc1ccc(COC2CCC(c3ccc(C4CO4)cc3F)CC2)c(F)c1F
InChIInChI=1S/C23H23F3O2/c1-2-14-3-4-17(23(26)22(14)25)12-27-18-8-5-15(6-9-18)19-10-7-16(11-20(19)24)21-13-28-21/h2-4,7,10-11,15,18,21H,1,5-6,8-9,12-13H2
InChIKeyZKXXABGPOKBINS-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.06
Rot. Bonds6

About 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane

2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane (PubChem CID 88589807) has the molecular formula C23H23F3O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane.

Molecular Properties

Compound Name2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane
PubChem CID88589807
Molecular FormulaC23H23F3O2
Molecular Weight388.43 g/mol
Exact Mass388.17
IUPAC Name2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane
SMILESC=Cc1ccc(COC2CCC(c3ccc(C4CO4)cc3F)CC2)c(F)c1F
InChIInChI=1S/C23H23F3O2/c1-2-14-3-4-17(23(26)22(14)25)12-27-18-8-5-15(6-9-18)19-10-7-16(11-20(19)24)21-13-28-21/h2-4,7,10-11,15,18,21H,1,5-6,8-9,12-13H2
InChIKeyZKXXABGPOKBINS-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 ≤ 500388.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-[[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]methoxy]cyclohexyl]-2-fluorophenyl]oxirane
CID 89124595
2-[4-[[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]oxirane
CID 88964208
2-[4-[4-[4-[(2,3-difluoro-4-propylphenyl)methoxy]cyclohexyl]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967666
1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141630
1-[4-[4-[[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]-2,3-difluorophenyl]methoxy]cyclohexyl]-2,3-difluorophenyl]propan-1-ol
CID 88857330
5-butoxy-2-[4-(4-ethenyl-2,3-difluorophenyl)-2-fluorophenyl]oxane
CID 126764559
1-[2,3-difluoro-4-[(E)-2-[4-[2-fluoro-4-(oxiran-2-yl)phenyl]cyclohexyl]ethenyl]phenyl]ethanol
CID 88977624
1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141585
2-[4-[4-[[2,3-difluoro-4-(4-methoxycyclohexyl)phenoxy]methyl]cyclohexyl]-3-fluorophenyl]oxirane
CID 89124670
1-[4-[4-[[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]-2-fluorophenyl]methoxy]cyclohexyl]-2,3-difluorophenyl]ethanol
CID 88967683
[4-(4-ethenylcyclohexyl)-2,3-difluorophenyl] 4-[2-fluoro-4-(oxiran-2-yl)phenyl]cyclohexane-1-carboxylate
CID 88953335
2-[4-[4-[(4-ethenyl-2,3-difluorophenoxy)methyl]phenyl]-2-fluorophenyl]oxirane
CID 88977792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane?
The IUPAC name of 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane (CID 88589807) is 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane.
What is the SMILES notation for 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane?
The canonical SMILES for 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane is C=Cc1ccc(COC2CCC(c3ccc(C4CO4)cc3F)CC2)c(F)c1F.
What is the InChIKey of 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane?
The InChIKey is ZKXXABGPOKBINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3O2/c1-2-14-3-4-17(23(26)22(14)25)12-27-18-8-5-15(6-9-18)19-10-7-16(11-20(19)24)21-13-28-21/h2-4,7,10-11,15,18,21H,1,5-6,8-9,12-13H2.
What are the key properties of 2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane?
2-[4-[4-[(4-ethenyl-2,3-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane has a molecular weight of 388.43 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-difluorophenyl)methoxy]cyclohexyl]-3-fluorophenyl]oxirane is sourced from PubChem (CID 88589807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).