1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H6F4O — CID 140998008

IUPAC1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESFC(C(F)(F)F)C12C=CC=CC1O2
InChIInChI=1S/C8H6F4O/c9-6(8(10,11)12)7-4-2-1-3-5(7)13-7/h1-6H
InChIKeyBARMZYARVWYBCH-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.15
Rot. Bonds1

About 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 140998008) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID140998008
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESFC(C(F)(F)F)C12C=CC=CC1O2
InChIInChI=1S/C8H6F4O/c9-6(8(10,11)12)7-4-2-1-3-5(7)13-7/h1-6H
InChIKeyBARMZYARVWYBCH-UHFFFAOYSA-N
XLogP2.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.15
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 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 140998008) is 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is FC(C(F)(F)F)C12C=CC=CC1O2.
What is the InChIKey of 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is BARMZYARVWYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c9-6(8(10,11)12)7-4-2-1-3-5(7)13-7/h1-6H.
What are the key properties of 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 194.13 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,2-tetrafluoroethyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 140998008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).