1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane

C8F12S — CID 91739038

IUPAC1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane
SMILESFC1=C(SC2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F12S/c9-1-2(4(12,13)3(1,10)11)21-8(20)6(16,17)5(14,15)7(8,18)19
InChIKeyIFFGUKFTHIJXCD-UHFFFAOYSA-N
MW356.13 g/mol
LogP4.77
Rot. Bonds2

About 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane

1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane (PubChem CID 91739038) has the molecular formula C8F12S and a molecular weight of 356.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane
PubChem CID91739038
Molecular FormulaC8F12S
Molecular Weight356.13 g/mol
Exact Mass355.95
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane
SMILESFC1=C(SC2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F12S/c9-1-2(4(12,13)3(1,10)11)21-8(20)6(16,17)5(14,15)7(8,18)19
InChIKeyIFFGUKFTHIJXCD-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane (CID 91739038) is 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane is FC1=C(SC2(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane?
The InChIKey is IFFGUKFTHIJXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12S/c9-1-2(4(12,13)3(1,10)11)21-8(20)6(16,17)5(14,15)7(8,18)19.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane?
1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane has a molecular weight of 356.13 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-(2,3,3,4,4-pentafluorocyclobuten-1-yl)sulfanylcyclobutane is sourced from PubChem (CID 91739038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).