2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane

C21H21FO — CID 102224979

IUPAC2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
SMILESCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H21FO/c1-20(21(2,22)23-20)19-14-18(19)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13,18-19H,14H2,1-2H3/b9-8+
InChIKeyFNCQDHBMYUANQA-CMDGGOBGSA-N
MW308.40 g/mol
LogP5.44
Rot. Bonds4

About 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane

2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane (PubChem CID 102224979) has the molecular formula C21H21FO and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane.

Molecular Properties

Compound Name2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
PubChem CID102224979
Molecular FormulaC21H21FO
Molecular Weight308.40 g/mol
Exact Mass308.16
IUPAC Name2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
SMILESCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H21FO/c1-20(21(2,22)23-20)19-14-18(19)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13,18-19H,14H2,1-2H3/b9-8+
InChIKeyFNCQDHBMYUANQA-CMDGGOBGSA-N
XLogP5.44
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.44
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'}

Analyze 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]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

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
(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-ethyl-2-fluoro-3-methyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
CID 135072162
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-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
The IUPAC name of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane (CID 102224979) is 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane.
What is the SMILES notation for 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
The canonical SMILES for 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane is CC1(F)OC1(C)C1CC1c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
The InChIKey is FNCQDHBMYUANQA-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H21FO/c1-20(21(2,22)23-20)19-14-18(19)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-13,18-19H,14H2,1-2H3/b9-8+.
What are the key properties of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane?
2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane has a molecular weight of 308.40 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane is sourced from PubChem (CID 102224979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).