2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane

C8H9FO — CID 88861345

IUPAC2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane
SMILESFC1(C2CO2)C=CC=CC1
InChIInChI=1S/C8H9FO/c9-8(7-6-10-7)4-2-1-3-5-8/h1-4,7H,5-6H2
InChIKeyQEUFRCLJOUYXKU-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.61
Rot. Bonds1

About 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane

2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane (PubChem CID 88861345) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane.

Molecular Properties

Compound Name2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane
PubChem CID88861345
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane
SMILESFC1(C2CO2)C=CC=CC1
InChIInChI=1S/C8H9FO/c9-8(7-6-10-7)4-2-1-3-5-8/h1-4,7H,5-6H2
InChIKeyQEUFRCLJOUYXKU-UHFFFAOYSA-N
XLogP1.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane?
The IUPAC name of 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane (CID 88861345) is 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane.
What is the SMILES notation for 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane?
The canonical SMILES for 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane is FC1(C2CO2)C=CC=CC1.
What is the InChIKey of 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane?
The InChIKey is QEUFRCLJOUYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c9-8(7-6-10-7)4-2-1-3-5-8/h1-4,7H,5-6H2.
What are the key properties of 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane?
2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane has a molecular weight of 140.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclohexa-2,4-dien-1-yl)oxirane is sourced from PubChem (CID 88861345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).