1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane

C8F18 — CID 175593131

IUPAC1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.FC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F10.C4F8/c5-1(2(6,7)8,3(9,10)11)4(12,13)14;5-1(6)2(7,8)4(11,12)3(1,9)10
InChIKeyVMDMCOSETBUADE-UHFFFAOYSA-N
MW438.05 g/mol
LogP5.92
Rot. Bonds

About 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane

1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane (PubChem CID 175593131) has the molecular formula C8F18 and a molecular weight of 438.05 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
PubChem CID175593131
Molecular FormulaC8F18
Molecular Weight438.05 g/mol
Exact Mass437.97
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.FC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C4F10.C4F8/c5-1(2(6,7)8,3(9,10)11)4(12,13)14;5-1(6)2(7,8)4(11,12)3(1,9)10
InChIKeyVMDMCOSETBUADE-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.05
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane (CID 175593131) is 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.FC1(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
The InChIKey is VMDMCOSETBUADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10.C4F8/c5-1(2(6,7)8,3(9,10)11)4(12,13)14;5-1(6)2(7,8)4(11,12)3(1,9)10.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane?
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane has a molecular weight of 438.05 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane is sourced from PubChem (CID 175593131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).