2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane

C9H11FO — CID 146222547

IUPAC2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane
SMILESFC1=CCCC=C1C1CCO1
InChIInChI=1S/C9H11FO/c10-8-4-2-1-3-7(8)9-5-6-11-9/h3-4,9H,1-2,5-6H2
InChIKeyGJRYMKDAHCRBIQ-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.35
Rot. Bonds1

About 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane

2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane (PubChem CID 146222547) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane.

Molecular Properties

Compound Name2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane
PubChem CID146222547
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane
SMILESFC1=CCCC=C1C1CCO1
InChIInChI=1S/C9H11FO/c10-8-4-2-1-3-7(8)9-5-6-11-9/h3-4,9H,1-2,5-6H2
InChIKeyGJRYMKDAHCRBIQ-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane?
The IUPAC name of 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane (CID 146222547) is 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane.
What is the SMILES notation for 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane?
The canonical SMILES for 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane is FC1=CCCC=C1C1CCO1.
What is the InChIKey of 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane?
The InChIKey is GJRYMKDAHCRBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c10-8-4-2-1-3-7(8)9-5-6-11-9/h3-4,9H,1-2,5-6H2.
What are the key properties of 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane?
2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane has a molecular weight of 154.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorocyclohexa-1,5-dien-1-yl)oxetane is sourced from PubChem (CID 146222547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).