1,1,2,2-tetrafluorobutane

C4H6F4 — CID 15215968

IUPAC1,1,2,2-tetrafluorobutane
SMILESCCC(F)(F)C(F)F
InChIInChI=1S/C4H6F4/c1-2-4(7,8)3(5)6/h3H,2H2,1H3
InChIKeyBXJTTXPJKGQMKK-UHFFFAOYSA-N
MW130.08 g/mol
LogP2.30
Rot. Bonds2

About 1,1,2,2-tetrafluorobutane

1,1,2,2-tetrafluorobutane (PubChem CID 15215968) has the molecular formula C4H6F4 and a molecular weight of 130.08 g/mol. Its IUPAC name is 1,1,2,2-tetrafluorobutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluorobutane
PubChem CID15215968
Molecular FormulaC4H6F4
Molecular Weight130.08 g/mol
Exact Mass130.04
IUPAC Name1,1,2,2-tetrafluorobutane
SMILESCCC(F)(F)C(F)F
InChIInChI=1S/C4H6F4/c1-2-4(7,8)3(5)6/h3H,2H2,1H3
InChIKeyBXJTTXPJKGQMKK-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3-Pentafluorobutane
CID 67884
1H,1H,1H,2H,2H-Nonafluorohexane
CID 11230396
2,2-Difluorobutane
CID 520729
1,1,1,2-Tetrafluoropropane (FC-254eb)
CID 12583891
1,1,1,2,2,3,3-Heptafluorobutane
CID 14936894
1,1,1,4,4,4-Hexafluorobutane
CID 67890
1,1,1-Trifluorobutane
CID 14512801
1,1,1,2,2-Pentafluoropentane
CID 18678981
1,1,1,2,2,3,3,4,4-Nonafluoropentane
CID 18678984
1,1,1,2,2,3,3-Heptafluorohexane
CID 19091132
1,1,1,2,2-Pentafluorobutane
CID 19980372
1,1,2,2-Tetrafluoropropane (FC-254cb)
CID 170416

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluorobutane?
The IUPAC name of 1,1,2,2-tetrafluorobutane (CID 15215968) is 1,1,2,2-tetrafluorobutane.
What is the SMILES notation for 1,1,2,2-tetrafluorobutane?
The canonical SMILES for 1,1,2,2-tetrafluorobutane is CCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluorobutane?
The InChIKey is BXJTTXPJKGQMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4/c1-2-4(7,8)3(5)6/h3H,2H2,1H3.
What are the key properties of 1,1,2,2-tetrafluorobutane?
1,1,2,2-tetrafluorobutane has a molecular weight of 130.08 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluorobutane is sourced from PubChem (CID 15215968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).