1,1-difluorobutane

C4H8F2 — CID 18967886

IUPAC1,1-difluorobutane
SMILESCCCC(F)F
InChIInChI=1S/C4H8F2/c1-2-3-4(5)6/h4H,2-3H2,1H3
InChIKeyCPLSOYONVLSMGL-UHFFFAOYSA-N
MW94.10 g/mol
LogP2.05
Rot. Bonds2

About 1,1-difluorobutane

1,1-difluorobutane (PubChem CID 18967886) has the molecular formula C4H8F2 and a molecular weight of 94.10 g/mol. Its IUPAC name is 1,1-difluorobutane.

Molecular Properties

Compound Name1,1-difluorobutane
PubChem CID18967886
Molecular FormulaC4H8F2
Molecular Weight94.10 g/mol
Exact Mass94.06
IUPAC Name1,1-difluorobutane
SMILESCCCC(F)F
InChIInChI=1S/C4H8F2/c1-2-3-4(5)6/h4H,2-3H2,1H3
InChIKeyCPLSOYONVLSMGL-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 1,1-difluorobutane?
The IUPAC name of 1,1-difluorobutane (CID 18967886) is 1,1-difluorobutane.
What is the SMILES notation for 1,1-difluorobutane?
The canonical SMILES for 1,1-difluorobutane is CCCC(F)F.
What is the InChIKey of 1,1-difluorobutane?
The InChIKey is CPLSOYONVLSMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2/c1-2-3-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 1,1-difluorobutane?
1,1-difluorobutane has a molecular weight of 94.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobutane is sourced from PubChem (CID 18967886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).