dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C12H8Cl2F18Si — CID 121233877

IUPACdichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8Cl2F18Si/c13-33(14,3-1-5(15,16)7(19,20)9(23,24)11(27,28)29)4-2-6(17,18)8(21,22)10(25,26)12(30,31)32/h1-4H2
InChIKeyWFXXNIVPFZNJIT-UHFFFAOYSA-N
MW593.15 g/mol
LogP8.62
Rot. Bonds10

About dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 121233877) has the molecular formula C12H8Cl2F18Si and a molecular weight of 593.15 g/mol. Its IUPAC name is dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Namedichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
PubChem CID121233877
Molecular FormulaC12H8Cl2F18Si
Molecular Weight593.15 g/mol
Exact Mass591.95
IUPAC Namedichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8Cl2F18Si/c13-33(14,3-1-5(15,16)7(19,20)9(23,24)11(27,28)29)4-2-6(17,18)8(21,22)10(25,26)12(30,31)32/h1-4H2
InChIKeyWFXXNIVPFZNJIT-UHFFFAOYSA-N
XLogP8.62
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 ≤ 58.62
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

trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
CID 2782914
ethane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 91160276
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)silane
CID 101217112
chloro-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
CID 59112310
7-[diamino(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-1,1,1,2,2,3,3,4,4,5,5-undecafluoroheptane
CID 172814135
ethane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(trimethoxy)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 158052991
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 101381950
dimethoxy-methyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 22600762
N-[dimethyl(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-N-methylmethanamine
CID 175854571
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
dimethoxy-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323

Frequently Asked Questions

What is the IUPAC name of dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The IUPAC name of dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 121233877) is dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The InChIKey is WFXXNIVPFZNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F18Si/c13-33(14,3-1-5(15,16)7(19,20)9(23,24)11(27,28)29)4-2-6(17,18)8(21,22)10(25,26)12(30,31)32/h1-4H2.
What are the key properties of dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 593.15 g/mol, XLogP of 8.62, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 121233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).