2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane

C22H23FO — CID 135072162

IUPAC2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
SMILESCCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H23FO/c1-3-22(23)21(2,24-22)20-15-19(20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-14,19-20H,3,15H2,1-2H3/b10-9+
InChIKeyLOGPEURJCDIISY-MDZDMXLPSA-N
MW322.42 g/mol
LogP5.83
Rot. Bonds5

About 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane

2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane (PubChem CID 135072162) has the molecular formula C22H23FO and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane.

Molecular Properties

Compound Name2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
PubChem CID135072162
Molecular FormulaC22H23FO
Molecular Weight322.42 g/mol
Exact Mass322.17
IUPAC Name2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
SMILESCCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H23FO/c1-3-22(23)21(2,24-22)20-15-19(20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-14,19-20H,3,15H2,1-2H3/b10-9+
InChIKeyLOGPEURJCDIISY-MDZDMXLPSA-N
XLogP5.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Phenyl-1-oxaspiro[2.5]octane
CID 11052404
Oxirane, 2-(2-(1,1'-biphenyl-4-yl)ethyl)-
CID 148940
AI 3-36206
CID 62071
2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
CID 102224979
(5S)-2,2-dimethyl-5-[(S)-phenyl-[4-(trifluoromethyl)phenyl]methyl]oxolane
CID 134942851
2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane
CID 135071721
2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]cyclopropyl]oxirane
CID 135071722
2-fluoro-2,3-dimethyl-3-[2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]cyclopropyl]oxirane
CID 135072055
2-[2-[4-[(E)-4-(4-tert-butylphenyl)-3-methylbut-1-enyl]phenyl]cyclopropyl]-3-fluoro-2,3-dimethyloxirane
CID 135072056
2-Fluoro-6-phenyl-1-oxaspiro[2.5]octane
CID 162410639
3-[3,3-Difluoro-2-(4-phenylphenyl)propyl]oxolane
CID 176437810
1-(2-(3-Fluoro-4-methylbenzyl)heptyl)cyclohexan-1-ol
CID 176730372

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
The IUPAC name of 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane (CID 135072162) is 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane.
What is the SMILES notation for 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
The canonical SMILES for 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane is CCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
The InChIKey is LOGPEURJCDIISY-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H23FO/c1-3-22(23)21(2,24-22)20-15-19(20)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-14,19-20H,3,15H2,1-2H3/b10-9+.
What are the key properties of 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane has a molecular weight of 322.42 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane is sourced from PubChem (CID 135072162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).