dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

C12H8Cl2F18Si — CID 53431090

IUPACdichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C12H8Cl2F18Si/c13-33(14,11(29,30)9(25,26)5(15,16)1-3-7(19,20)21)12(31,32)10(27,28)6(17,18)2-4-8(22,23)24/h1-4H2
InChIKeyMIZYXWOLOKZZFU-UHFFFAOYSA-N
MW593.15 g/mol
LogP8.48
Rot. Bonds10

About dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane

dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane (PubChem CID 53431090) has the molecular formula C12H8Cl2F18Si and a molecular weight of 593.15 g/mol. Its IUPAC name is dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Namedichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
PubChem CID53431090
Molecular FormulaC12H8Cl2F18Si
Molecular Weight593.15 g/mol
Exact Mass591.95
IUPAC Namedichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C12H8Cl2F18Si/c13-33(14,11(29,30)9(25,26)5(15,16)1-3-7(19,20)21)12(31,32)10(27,28)6(17,18)2-4-8(22,23)24/h1-4H2
InChIKeyMIZYXWOLOKZZFU-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.15
LogP ≤ 58.48
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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Related Compounds

dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane
CID 88685115
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 87967614
dimethyl-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)-propan-2-yloxysilane
CID 89420830
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
chloro-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
CID 59112310
diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
CID 87247873
1-bromo-1,1,2,2,5,5,5-heptafluoropentane
CID 154324929
CID 18617925
CID 18617925
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctoxysilane
CID 174993252
methoxy(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
CID 173374467
dichloro-(1,1,2,2,10,10,10-heptafluorodecyl)-methylsilane
CID 141014947

Frequently Asked Questions

What is the IUPAC name of dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The IUPAC name of dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane (CID 53431090) is dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane is FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
The InChIKey is MIZYXWOLOKZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F18Si/c13-33(14,11(29,30)9(25,26)5(15,16)1-3-7(19,20)21)12(31,32)10(27,28)6(17,18)2-4-8(22,23)24/h1-4H2.
What are the key properties of dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane?
dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane has a molecular weight of 593.15 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 53431090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).