4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane

C8H10F2O — CID 58481003

IUPAC4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane
SMILESFC1(F)OC2C3CCC(C3)C21
InChIInChI=1S/C8H10F2O/c9-8(10)6-4-1-2-5(3-4)7(6)11-8/h4-7H,1-3H2
InChIKeyZHZDVQKNCIMYFG-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.02
Rot. Bonds

About 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane

4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane (PubChem CID 58481003) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane.

Molecular Properties

Compound Name4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane
PubChem CID58481003
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane
SMILESFC1(F)OC2C3CCC(C3)C21
InChIInChI=1S/C8H10F2O/c9-8(10)6-4-1-2-5(3-4)7(6)11-8/h4-7H,1-3H2
InChIKeyZHZDVQKNCIMYFG-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane?
The IUPAC name of 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane (CID 58481003) is 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane.
What is the SMILES notation for 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane?
The canonical SMILES for 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane is FC1(F)OC2C3CCC(C3)C21.
What is the InChIKey of 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane?
The InChIKey is ZHZDVQKNCIMYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c9-8(10)6-4-1-2-5(3-4)7(6)11-8/h4-7H,1-3H2.
What are the key properties of 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane?
4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane has a molecular weight of 160.16 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-oxatricyclo[4.2.1.02,5]nonane is sourced from PubChem (CID 58481003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).