dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane

C12Cl2F20Si — CID 155724433

IUPACdichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane
SMILESFC1=C(F)C(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)([Si](Cl)(Cl)C(F)(F)C(F)(F)F)C(F)=C1F
InChIInChI=1S/C12Cl2F20Si/c13-35(14,12(33,34)11(30,31)32)5(3(17)1(15)2(16)4(18)6(5,19)20)7(21,22)8(23,24)9(25,26)10(27,28)29
InChIKeyVPOCQTUFVUYWKS-UHFFFAOYSA-N
MW623.08 g/mol
LogP8.80
Rot. Bonds5

About dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane

dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane (PubChem CID 155724433) has the molecular formula C12Cl2F20Si and a molecular weight of 623.08 g/mol. Its IUPAC name is dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane.

Molecular Properties

Compound Namedichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane
PubChem CID155724433
Molecular FormulaC12Cl2F20Si
Molecular Weight623.08 g/mol
Exact Mass621.88
IUPAC Namedichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane
SMILESFC1=C(F)C(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)([Si](Cl)(Cl)C(F)(F)C(F)(F)F)C(F)=C1F
InChIInChI=1S/C12Cl2F20Si/c13-35(14,12(33,34)11(30,31)32)5(3(17)1(15)2(16)4(18)6(5,19)20)7(21,22)8(23,24)9(25,26)10(27,28)29
InChIKeyVPOCQTUFVUYWKS-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.08
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane?
The IUPAC name of dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane (CID 155724433) is dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane.
What is the SMILES notation for dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane?
The canonical SMILES for dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane is FC1=C(F)C(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)([Si](Cl)(Cl)C(F)(F)C(F)(F)F)C(F)=C1F.
What is the InChIKey of dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane?
The InChIKey is VPOCQTUFVUYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12Cl2F20Si/c13-35(14,12(33,34)11(30,31)32)5(3(17)1(15)2(16)4(18)6(5,19)20)7(21,22)8(23,24)9(25,26)10(27,28)29.
What are the key properties of dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane?
dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane has a molecular weight of 623.08 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2,3,4,5,6,6-hexafluoro-1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-yl]-(1,1,2,2,2-pentafluoroethyl)silane is sourced from PubChem (CID 155724433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).