dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane

C11H16Cl2F9IOSi — CID 157466502

IUPACdichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
SMILESCC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.CCC(I)[Si](C)(Cl)Cl
InChIInChI=1S/C7H7F9O.C4H9Cl2ISi/c1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16;1-3-4(7)8(2,5)6/h2-3H2,1H3;4H,3H2,1-2H3
InChIKeyBUNSFDMYXVNTEI-UHFFFAOYSA-N
MW561.13 g/mol
LogP7.13
Rot. Bonds7

About dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane

dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane (PubChem CID 157466502) has the molecular formula C11H16Cl2F9IOSi and a molecular weight of 561.13 g/mol. Its IUPAC name is dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane.

Molecular Properties

Compound Namedichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
PubChem CID157466502
Molecular FormulaC11H16Cl2F9IOSi
Molecular Weight561.13 g/mol
Exact Mass559.92
IUPAC Namedichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
SMILESCC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.CCC(I)[Si](C)(Cl)Cl
InChIInChI=1S/C7H7F9O.C4H9Cl2ISi/c1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16;1-3-4(7)8(2,5)6/h2-3H2,1H3;4H,3H2,1-2H3
InChIKeyBUNSFDMYXVNTEI-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.13
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;hex-5-en-3-yl-methyl-bis(prop-2-enyl)silane
CID 157231509
3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane;trimethoxy-[4-[methyl-bis(3-trimethoxysilylpropyl)silyl]hexyl]silane
CID 161229551
N-[2,2-bis(prop-2-enyl)pent-4-enyl]acetamide;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane
CID 159419758
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-1,1-diiododecane
CID 88608643
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane
CID 102247374
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane
CID 54195481
(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane
CID 143018723
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211
bis(ethenyl)-dimethylsilane;[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-iodo-10-[1-iodopropyl(dimethyl)silyl]dec-1-enyl]-[(E)-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoronon-1-enyl]-dimethylsilane
CID 159107408
2,2,3,3,4,4-hexafluoro-5-(3,3,4,4,5,5-hexafluorohexoxy)-5-oxopentanoic acid
CID 158193375
1-bromo-4-(1,1-difluoroethoxy)-1,1,2,2-tetrafluorobutane
CID 98041577
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422

Frequently Asked Questions

What is the IUPAC name of dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
The IUPAC name of dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane (CID 157466502) is dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane.
What is the SMILES notation for dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
The canonical SMILES for dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane is CC(F)(F)C(F)(F)C(F)(F)CCOC(F)(F)F.CCC(I)[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
The InChIKey is BUNSFDMYXVNTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O.C4H9Cl2ISi/c1-4(8,9)6(12,13)5(10,11)2-3-17-7(14,15)16;1-3-4(7)8(2,5)6/h2-3H2,1H3;4H,3H2,1-2H3.
What are the key properties of dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane?
dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane has a molecular weight of 561.13 g/mol, XLogP of 7.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1-iodopropyl)-methylsilane;3,3,4,4,5,5-hexafluoro-1-(trifluoromethoxy)hexane is sourced from PubChem (CID 157466502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).