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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Related Compounds

1-bromo-3-fluorobicyclo[1.1.1]pentane
CID 15759506
1-(bromomethyl)-3-fluorobicyclo[1.1.1]pentane
CID 135392819
(3,5,7-trifluoro-1-adamantyl)methanol
CID 57406555
1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
CID 144996123
1-fluoro-3,5,7-trimethyladamantane
CID 23235267
3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine
CID 138700004
1,3,5-trifluoroadamantane;(3,5,7-trifluoro-1-adamantyl)methanol;tungsten
CID 158474486
1,1-dichloro-2,2-difluorocyclopropane
CID 12637093
2-chloro-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethanone
CID 154655676
1,4,6,9-tetrafluoropentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 101465693
1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 172528840
(1R,8S)-1,5,5,8-tetrafluoro-4-oxatricyclo[4.3.1.13,8]undecane
CID 102111122

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).