3,3-difluoropentane

C5H10F2 — CID 13459596

IUPAC3,3-difluoropentane
SMILESCCC(F)(F)CC
InChIInChI=1S/C5H10F2/c1-3-5(6,7)4-2/h3-4H2,1-2H3
InChIKeyADKOKWOWUJDRJK-UHFFFAOYSA-N
MW108.13 g/mol
LogP2.44
Rot. Bonds2

About 3,3-difluoropentane

3,3-difluoropentane (PubChem CID 13459596) has the molecular formula C5H10F2 and a molecular weight of 108.13 g/mol. Its IUPAC name is 3,3-difluoropentane.

Molecular Properties

Compound Name3,3-difluoropentane
PubChem CID13459596
Molecular FormulaC5H10F2
Molecular Weight108.13 g/mol
Exact Mass108.08
IUPAC Name3,3-difluoropentane
SMILESCCC(F)(F)CC
InChIInChI=1S/C5H10F2/c1-3-5(6,7)4-2/h3-4H2,1-2H3
InChIKeyADKOKWOWUJDRJK-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropentane?
The IUPAC name of 3,3-difluoropentane (CID 13459596) is 3,3-difluoropentane.
What is the SMILES notation for 3,3-difluoropentane?
The canonical SMILES for 3,3-difluoropentane is CCC(F)(F)CC.
What is the InChIKey of 3,3-difluoropentane?
The InChIKey is ADKOKWOWUJDRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2/c1-3-5(6,7)4-2/h3-4H2,1-2H3.
What are the key properties of 3,3-difluoropentane?
3,3-difluoropentane has a molecular weight of 108.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropentane is sourced from PubChem (CID 13459596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).