1,3-difluorobicyclo[1.1.1]pentane

C5H6F2 — CID 86129482

IUPAC1,3-difluorobicyclo[1.1.1]pentane
SMILESFC12CC(F)(C1)C2
InChIInChI=1S/C5H6F2/c6-4-1-5(7,2-4)3-4/h1-3H2
InChIKeyAKZARGRIJXNCBQ-UHFFFAOYSA-N
MW104.10 g/mol
LogP1.60
Rot. Bonds

About 1,3-difluorobicyclo[1.1.1]pentane

1,3-difluorobicyclo[1.1.1]pentane (PubChem CID 86129482) has the molecular formula C5H6F2 and a molecular weight of 104.10 g/mol. Its IUPAC name is 1,3-difluorobicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1,3-difluorobicyclo[1.1.1]pentane
PubChem CID86129482
Molecular FormulaC5H6F2
Molecular Weight104.10 g/mol
Exact Mass104.04
IUPAC Name1,3-difluorobicyclo[1.1.1]pentane
SMILESFC12CC(F)(C1)C2
InChIInChI=1S/C5H6F2/c6-4-1-5(7,2-4)3-4/h1-3H2
InChIKeyAKZARGRIJXNCBQ-UHFFFAOYSA-N
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobicyclo[1.1.1]pentane?
The IUPAC name of 1,3-difluorobicyclo[1.1.1]pentane (CID 86129482) is 1,3-difluorobicyclo[1.1.1]pentane.
What is the SMILES notation for 1,3-difluorobicyclo[1.1.1]pentane?
The canonical SMILES for 1,3-difluorobicyclo[1.1.1]pentane is FC12CC(F)(C1)C2.
What is the InChIKey of 1,3-difluorobicyclo[1.1.1]pentane?
The InChIKey is AKZARGRIJXNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2/c6-4-1-5(7,2-4)3-4/h1-3H2.
What are the key properties of 1,3-difluorobicyclo[1.1.1]pentane?
1,3-difluorobicyclo[1.1.1]pentane has a molecular weight of 104.10 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobicyclo[1.1.1]pentane is sourced from PubChem (CID 86129482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).