2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol

C8H8F2O2 — CID 156695249

IUPAC2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
SMILESOCCC12C=CC(F)=CC1(F)O2
InChIInChI=1S/C8H8F2O2/c9-6-1-2-7(3-4-11)8(10,5-6)12-7/h1-2,5,11H,3-4H2
InChIKeyRNLAJUMALHVVBD-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.23
Rot. Bonds2

About 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol

2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol (PubChem CID 156695249) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
PubChem CID156695249
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol
SMILESOCCC12C=CC(F)=CC1(F)O2
InChIInChI=1S/C8H8F2O2/c9-6-1-2-7(3-4-11)8(10,5-6)12-7/h1-2,5,11H,3-4H2
InChIKeyRNLAJUMALHVVBD-UHFFFAOYSA-N
XLogP1.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol (CID 156695249) is 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol is OCCC12C=CC(F)=CC1(F)O2.
What is the InChIKey of 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
The InChIKey is RNLAJUMALHVVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c9-6-1-2-7(3-4-11)8(10,5-6)12-7/h1-2,5,11H,3-4H2.
What are the key properties of 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol?
2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol has a molecular weight of 174.15 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 156695249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).