5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H4F12O — CID 153322569

IUPAC5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(O2)C1(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F12O/c11-5(7(13,9(17,18)19)10(20,21)22)3-1-2-4(23-3)6(5,12)8(14,15)16/h1-4H
InChIKeyYCQTYTDIOIDPIQ-UHFFFAOYSA-N
MW368.12 g/mol
LogP4.14
Rot. Bonds1

About 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 153322569) has the molecular formula C10H4F12O and a molecular weight of 368.12 g/mol. Its IUPAC name is 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID153322569
Molecular FormulaC10H4F12O
Molecular Weight368.12 g/mol
Exact Mass368.01
IUPAC Name5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(O2)C1(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F12O/c11-5(7(13,9(17,18)19)10(20,21)22)3-1-2-4(23-3)6(5,12)8(14,15)16/h1-4H
InChIKeyYCQTYTDIOIDPIQ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.12
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 153322569) is 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)(F)C1(F)C2C=CC(O2)C1(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is YCQTYTDIOIDPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F12O/c11-5(7(13,9(17,18)19)10(20,21)22)3-1-2-4(23-3)6(5,12)8(14,15)16/h1-4H.
What are the key properties of 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 368.12 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 153322569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).