dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane

C9H7Cl2F13Si — CID 173413078

IUPACdichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane
SMILESCC(C[SiH](Cl)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7Cl2F13Si/c1-3(2-25(10)11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h3,25H,2H2,1H3
InChIKeyDAEJJXJZVWTDCK-UHFFFAOYSA-N
MW461.12 g/mol
LogP6.06
Rot. Bonds7

About dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane

dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane (PubChem CID 173413078) has the molecular formula C9H7Cl2F13Si and a molecular weight of 461.12 g/mol. Its IUPAC name is dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane.

Molecular Properties

Compound Namedichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane
PubChem CID173413078
Molecular FormulaC9H7Cl2F13Si
Molecular Weight461.12 g/mol
Exact Mass459.95
IUPAC Namedichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane
SMILESCC(C[SiH](Cl)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7Cl2F13Si/c1-3(2-25(10)11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h3,25H,2H2,1H3
InChIKeyDAEJJXJZVWTDCK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.12
LogP ≤ 56.06
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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecoxy)-9-methyldecane
CID 175131695
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-7-methylpentadecane
CID 131700766
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-di(propan-2-yl)silane
CID 152743592
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-9-methyldodecane
CID 153324145
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononane-3-thiol
CID 174993507
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-2-methyltetradecyl) prop-2-enoate
CID 152676014
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-2-sulfonic acid
CID 174850316
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-methyl-8-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-methyldecan-3-yl)oxydecane
CID 175309033

Frequently Asked Questions

What is the IUPAC name of dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane?
The IUPAC name of dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane (CID 173413078) is dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane.
What is the SMILES notation for dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane?
The canonical SMILES for dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane is CC(C[SiH](Cl)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane?
The InChIKey is DAEJJXJZVWTDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F13Si/c1-3(2-25(10)11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h3,25H,2H2,1H3.
What are the key properties of dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane?
dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane has a molecular weight of 461.12 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctyl)silane is sourced from PubChem (CID 173413078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).