2,2-difluorobutane

C4H8F2 — CID 520729

IUPAC2,2-difluorobutane
SMILESCCC(C)(F)F
InChIInChI=1S/C4H8F2/c1-3-4(2,5)6/h3H2,1-2H3
InChIKeyIIADOUMJKYSCPM-UHFFFAOYSA-N
MW94.10 g/mol
LogP2.05
Rot. Bonds1

About 2,2-difluorobutane

2,2-difluorobutane (PubChem CID 520729) has the molecular formula C4H8F2 and a molecular weight of 94.10 g/mol. Its IUPAC name is 2,2-difluorobutane.

Molecular Properties

Compound Name2,2-difluorobutane
PubChem CID520729
Molecular FormulaC4H8F2
Molecular Weight94.10 g/mol
Exact Mass94.06
IUPAC Name2,2-difluorobutane
SMILESCCC(C)(F)F
InChIInChI=1S/C4H8F2/c1-3-4(2,5)6/h3H2,1-2H3
InChIKeyIIADOUMJKYSCPM-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.10
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutane?
The IUPAC name of 2,2-difluorobutane (CID 520729) is 2,2-difluorobutane.
What is the SMILES notation for 2,2-difluorobutane?
The canonical SMILES for 2,2-difluorobutane is CCC(C)(F)F.
What is the InChIKey of 2,2-difluorobutane?
The InChIKey is IIADOUMJKYSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2/c1-3-4(2,5)6/h3H2,1-2H3.
What are the key properties of 2,2-difluorobutane?
2,2-difluorobutane has a molecular weight of 94.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutane is sourced from PubChem (CID 520729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).