1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane

C12H10F8O2 — CID 89331490

IUPAC1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane
SMILESFC1C(F)C2OC2(F)C(F)C1C1C(F)C(F)C2O[C@@]2(F)C1F
InChIInChI=1S/C12H10F8O2/c13-3-1(7(17)11(19)9(21-11)5(3)15)2-4(14)6(16)10-12(20,22-10)8(2)18/h1-10H/t1?,2?,3?,4?,5?,6?,7?,8?,9?,10?,11-,12?/m0/s1
InChIKeyGUOHUZRUUZFXKG-DSCKYVEBSA-N
MW338.19 g/mol
LogP2.40
Rot. Bonds1

About 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane

1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 89331490) has the molecular formula C12H10F8O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane
PubChem CID89331490
Molecular FormulaC12H10F8O2
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane
SMILESFC1C(F)C2OC2(F)C(F)C1C1C(F)C(F)C2O[C@@]2(F)C1F
InChIInChI=1S/C12H10F8O2/c13-3-1(7(17)11(19)9(21-11)5(3)15)2-4(14)6(16)10-12(20,22-10)8(2)18/h1-10H/t1?,2?,3?,4?,5?,6?,7?,8?,9?,10?,11-,12?/m0/s1
InChIKeyGUOHUZRUUZFXKG-DSCKYVEBSA-N
XLogP2.40
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane (CID 89331490) is 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane is FC1C(F)C2OC2(F)C(F)C1C1C(F)C(F)C2O[C@@]2(F)C1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is GUOHUZRUUZFXKG-DSCKYVEBSA-N. The full InChI is InChI=1S/C12H10F8O2/c13-3-1(7(17)11(19)9(21-11)5(3)15)2-4(14)6(16)10-12(20,22-10)8(2)18/h1-10H/t1?,2?,3?,4?,5?,6?,7?,8?,9?,10?,11-,12?/m0/s1.
What are the key properties of 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane?
1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 338.19 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-[(1S)-1,2,4,5-tetrafluoro-7-oxabicyclo[4.1.0]heptan-3-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 89331490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).