6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene

C14H16F10O2S — CID 173284662

IUPAC6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene
SMILESO=S(=O)(C=CCCCC(F)(F)C(F)(F)F)C=CCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F10O2S/c15-11(16,13(19,20)21)7-3-1-5-9-27(25,26)10-6-2-4-8-12(17,18)14(22,23)24/h5-6,9-10H,1-4,7-8H2
InChIKeyZROCGBKUFYQYOE-UHFFFAOYSA-N
MW438.33 g/mol
LogP6.16
Rot. Bonds10

About 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene

6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene (PubChem CID 173284662) has the molecular formula C14H16F10O2S and a molecular weight of 438.33 g/mol. Its IUPAC name is 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene.

Molecular Properties

Compound Name6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene
PubChem CID173284662
Molecular FormulaC14H16F10O2S
Molecular Weight438.33 g/mol
Exact Mass438.07
IUPAC Name6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene
SMILESO=S(=O)(C=CCCCC(F)(F)C(F)(F)F)C=CCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H16F10O2S/c15-11(16,13(19,20)21)7-3-1-5-9-27(25,26)10-6-2-4-8-12(17,18)14(22,23)24/h5-6,9-10H,1-4,7-8H2
InChIKeyZROCGBKUFYQYOE-UHFFFAOYSA-N
XLogP6.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene?
The IUPAC name of 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene (CID 173284662) is 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene.
What is the SMILES notation for 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene?
The canonical SMILES for 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene is O=S(=O)(C=CCCCC(F)(F)C(F)(F)F)C=CCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene?
The InChIKey is ZROCGBKUFYQYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F10O2S/c15-11(16,13(19,20)21)7-3-1-5-9-27(25,26)10-6-2-4-8-12(17,18)14(22,23)24/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene?
6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene has a molecular weight of 438.33 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,7-pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene is sourced from PubChem (CID 173284662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).