2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane

C25H23FO — CID 135071721

IUPAC2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane
SMILESCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C25H23FO/c1-24(25(2,26)27-24)23-16-22(23)20-14-11-17(12-15-20)10-13-19-8-5-7-18-6-3-4-9-21(18)19/h3-15,22-23H,16H2,1-2H3/b13-10+
InChIKeyRTMCGTHPZSMVGH-JLHYYAGUSA-N
MW358.46 g/mol
LogP6.59
Rot. Bonds4

About 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane

2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane (PubChem CID 135071721) has the molecular formula C25H23FO and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane.

Molecular Properties

Compound Name2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane
PubChem CID135071721
Molecular FormulaC25H23FO
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane
SMILESCC1(F)OC1(C)C1CC1c1ccc(/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C25H23FO/c1-24(25(2,26)27-24)23-16-22(23)20-14-11-17(12-15-20)10-13-19-8-5-7-18-6-3-4-9-21(18)19/h3-15,22-23H,16H2,1-2H3/b13-10+
InChIKeyRTMCGTHPZSMVGH-JLHYYAGUSA-N
XLogP6.59
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.59
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

4-(Naphthalen-2-ylmethyl)oxane
CID 127053132
2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]oxirane
CID 102224979
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
9-(2-Methoxyethyl)anthracene
CID 281258
9-Glycidylanthracene
CID 54367420
1-[1-Fluoro-2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene
CID 10729118
2-Fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 21871379
2-(2-fluoro-4-prop-2-enylphenyl)-6-[(E)-6-pentoxyhept-1-enyl]naphthalene
CID 70260664
2-(2-Fluoro-4-prop-2-enylphenyl)-6-(6-pentoxyhept-1-enyl)naphthalene
CID 70260667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane?
The IUPAC name of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane (CID 135071721) is 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane.
What is the SMILES notation for 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane?
The canonical SMILES for 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane is CC1(F)OC1(C)C1CC1c1ccc(/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane?
The InChIKey is RTMCGTHPZSMVGH-JLHYYAGUSA-N. The full InChI is InChI=1S/C25H23FO/c1-24(25(2,26)27-24)23-16-22(23)20-14-11-17(12-15-20)10-13-19-8-5-7-18-6-3-4-9-21(18)19/h3-15,22-23H,16H2,1-2H3/b13-10+.
What are the key properties of 2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane?
2-fluoro-2,3-dimethyl-3-[2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane has a molecular weight of 358.46 g/mol, XLogP of 6.59, 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-naphthalen-1-ylethenyl]phenyl]cyclopropyl]oxirane is sourced from PubChem (CID 135071721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).