2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane

C24H21F3O — CID 89140003

IUPAC2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane
SMILESCCc1ccc(CCc2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C24H21F3O/c1-2-17-8-7-16(13-21(17)25)4-3-15-5-9-18(10-6-15)19-11-12-20(22-14-28-22)24(27)23(19)26/h5-13,22H,2-4,14H2,1H3
InChIKeyUJRCEGXLVLJCEN-UHFFFAOYSA-N
MW382.43 g/mol
LogP6.19
Rot. Bonds6

About 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane

2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane (PubChem CID 89140003) has the molecular formula C24H21F3O and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane.

Molecular Properties

Compound Name2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane
PubChem CID89140003
Molecular FormulaC24H21F3O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane
SMILESCCc1ccc(CCc2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C24H21F3O/c1-2-17-8-7-16(13-21(17)25)4-3-15-5-9-18(10-6-15)19-11-12-20(22-14-28-22)24(27)23(19)26/h5-13,22H,2-4,14H2,1H3
InChIKeyUJRCEGXLVLJCEN-UHFFFAOYSA-N
XLogP6.19
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-difluoro-4-[4-[(2-fluoro-4-propylphenyl)methoxy]phenyl]phenyl]oxirane
CID 88977870
2-[4-[2-[4-[4-(4-ethylphenyl)-2,3-difluorophenyl]phenyl]ethyl]-3-fluorophenyl]oxirane
CID 89124613
2-[4-[4-[2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88963675
2-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]-5-methyloxane
CID 70820703
1-[4-[4-[4-[2-[2,3-difluoro-4-(oxiran-2-yl)phenyl]ethyl]phenyl]-2,3-difluorophenyl]cyclohexyl]ethanol
CID 89124883
2-[4-[4-[2-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethyl]phenyl]-2-fluorophenyl]oxirane
CID 88963700
1-[4-[4-[4-[2-[2,3-difluoro-4-(oxiran-2-yl)phenyl]ethyl]phenyl]-2,3-difluorophenyl]cyclohexyl]butan-1-ol
CID 89124885
3-[2-[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]phenyl]-3-fluorophenyl]ethyl]oxane
CID 88571676
2-[3-chloro-2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]oxirane
CID 89145644
2-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-5-ethyloxane
CID 126765240
1-[4-[2,3-difluoro-4-[4-[2-[2-fluoro-4-(oxiran-2-yl)phenyl]ethyl]phenyl]phenyl]phenyl]ethanol
CID 89124581
2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane?
The IUPAC name of 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane (CID 89140003) is 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane.
What is the SMILES notation for 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane?
The canonical SMILES for 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane is CCc1ccc(CCc2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)cc1F.
What is the InChIKey of 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane?
The InChIKey is UJRCEGXLVLJCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3O/c1-2-17-8-7-16(13-21(17)25)4-3-15-5-9-18(10-6-15)19-11-12-20(22-14-28-22)24(27)23(19)26/h5-13,22H,2-4,14H2,1H3.
What are the key properties of 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane?
2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane has a molecular weight of 382.43 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane is sourced from PubChem (CID 89140003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).