fluoro(12,12,12-trichlorododecyl)silane

C12H24Cl3FSi — CID 173018377

IUPACfluoro(12,12,12-trichlorododecyl)silane
SMILESF[SiH2]CCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C12H24Cl3FSi/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-17-16/h1-11,17H2
InChIKeyGRBYPMJBACGBHY-UHFFFAOYSA-N
MW321.77 g/mol
LogP5.73
Rot. Bonds11

About fluoro(12,12,12-trichlorododecyl)silane

fluoro(12,12,12-trichlorododecyl)silane (PubChem CID 173018377) has the molecular formula C12H24Cl3FSi and a molecular weight of 321.77 g/mol. Its IUPAC name is fluoro(12,12,12-trichlorododecyl)silane.

Molecular Properties

Compound Namefluoro(12,12,12-trichlorododecyl)silane
PubChem CID173018377
Molecular FormulaC12H24Cl3FSi
Molecular Weight321.77 g/mol
Exact Mass320.07
IUPAC Namefluoro(12,12,12-trichlorododecyl)silane
SMILESF[SiH2]CCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C12H24Cl3FSi/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-17-16/h1-11,17H2
InChIKeyGRBYPMJBACGBHY-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.77
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro(12,12,12-trichlorododecyl)silane
CID 151651897
1,1,1,12-tetrachlorododecane
CID 169446882
1,1,1,21-tetrachlorohenicosane
CID 121232970
8,8,8-trichlorooctyl-λ2-stannane
CID 173499817
1,1,1-trichlorononane
CID 6420387
16,16,16-trichlorohexadecanoic acid
CID 57105888
5,5,5-trichloropentylphosphane
CID 152727751
fluoro(hexadecyl)silane
CID 154076101
5,5,5-trichloropentan-1-amine
CID 23423634
1,1,1,21,21,21-hexachloro-11-methylhenicosane
CID 150612565
7,7,7-trichloroheptan-2-one
CID 537392
ethyl 8,8,8-trichlorooctanoate
CID 141267999

Frequently Asked Questions

What is the IUPAC name of fluoro(12,12,12-trichlorododecyl)silane?
The IUPAC name of fluoro(12,12,12-trichlorododecyl)silane (CID 173018377) is fluoro(12,12,12-trichlorododecyl)silane.
What is the SMILES notation for fluoro(12,12,12-trichlorododecyl)silane?
The canonical SMILES for fluoro(12,12,12-trichlorododecyl)silane is F[SiH2]CCCCCCCCCCCC(Cl)(Cl)Cl.
What is the InChIKey of fluoro(12,12,12-trichlorododecyl)silane?
The InChIKey is GRBYPMJBACGBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl3FSi/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11-17-16/h1-11,17H2.
What are the key properties of fluoro(12,12,12-trichlorododecyl)silane?
fluoro(12,12,12-trichlorododecyl)silane has a molecular weight of 321.77 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(12,12,12-trichlorododecyl)silane is sourced from PubChem (CID 173018377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).