1,1-difluorobutane;ethane

C6H14F2 — CID 164925096

IUPAC1,1-difluorobutane;ethane
SMILESCC.CCCC(F)F
InChIInChI=1S/C4H8F2.C2H6/c1-2-3-4(5)6;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyQZASKASBEULDJN-UHFFFAOYSA-N
MW124.17 g/mol
LogP3.08
Rot. Bonds2

About 1,1-difluorobutane;ethane

1,1-difluorobutane;ethane (PubChem CID 164925096) has the molecular formula C6H14F2 and a molecular weight of 124.17 g/mol. Its IUPAC name is 1,1-difluorobutane;ethane.

Molecular Properties

Compound Name1,1-difluorobutane;ethane
PubChem CID164925096
Molecular FormulaC6H14F2
Molecular Weight124.17 g/mol
Exact Mass124.11
IUPAC Name1,1-difluorobutane;ethane
SMILESCC.CCCC(F)F
InChIInChI=1S/C4H8F2.C2H6/c1-2-3-4(5)6;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyQZASKASBEULDJN-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobutane;ethane?
The IUPAC name of 1,1-difluorobutane;ethane (CID 164925096) is 1,1-difluorobutane;ethane.
What is the SMILES notation for 1,1-difluorobutane;ethane?
The canonical SMILES for 1,1-difluorobutane;ethane is CC.CCCC(F)F.
What is the InChIKey of 1,1-difluorobutane;ethane?
The InChIKey is QZASKASBEULDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2.C2H6/c1-2-3-4(5)6;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of 1,1-difluorobutane;ethane?
1,1-difluorobutane;ethane has a molecular weight of 124.17 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobutane;ethane is sourced from PubChem (CID 164925096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).