1,1,1,2,2,3,3,4,4,4-decafluorobutane

C4F10 — CID 9638

IUPAC1,1,1,2,2,3,3,4,4,4-decafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKeyKAVGMUDTWQVPDF-UHFFFAOYSA-N
MW238.02 g/mol
LogP3.38
Rot. Bonds1

About 1,1,1,2,2,3,3,4,4,4-decafluorobutane

1,1,1,2,2,3,3,4,4,4-decafluorobutane (PubChem CID 9638) has the molecular formula C4F10 and a molecular weight of 238.02 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,4-decafluorobutane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,4-decafluorobutane
PubChem CID9638
Molecular FormulaC4F10
Molecular Weight238.02 g/mol
Exact Mass237.98
IUPAC Name1,1,1,2,2,3,3,4,4,4-decafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKeyKAVGMUDTWQVPDF-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.02
LogP ≤ 53.38
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

Perfluoropentane
CID 12675
Perfluoropropane
CID 6432
Perflisobutane
CID 67724
Bis(heptafluoroisopropyl)mercury
CID 2736035
Hexafluoroethane perfluoropropane
CID 22401982
Perfluorobutyllithium
CID 129760654
CID 12751198
CID 12751198
Bis(heptafluoropropyl)cadmium
CID 13451027
Bis(heptafluoroisopropyl)cadmium
CID 86104744
Perfluorobutylmagnesium
CID 129662719
Heptafluoropropyl radical
CID 137850
Heptafluoroisopropyl
CID 137869

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,4-decafluorobutane (CID 9638) is 1,1,1,2,2,3,3,4,4,4-decafluorobutane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,4-decafluorobutane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,4-decafluorobutane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,4-decafluorobutane?
The InChIKey is KAVGMUDTWQVPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14.
What are the key properties of 1,1,1,2,2,3,3,4,4,4-decafluorobutane?
1,1,1,2,2,3,3,4,4,4-decafluorobutane has a molecular weight of 238.02 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,4-decafluorobutane is sourced from PubChem (CID 9638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).