dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane

C7Cl2F16Si — CID 141389193

IUPACdichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)F
InChIInChI=1S/C7Cl2F16Si/c8-26(9,7(23,24)25)6(21,22)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)20
InChIKeyFHVUSUYNEGFVJQ-UHFFFAOYSA-N
MW487.04 g/mol
LogP6.29
Rot. Bonds5

About dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane

dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane (PubChem CID 141389193) has the molecular formula C7Cl2F16Si and a molecular weight of 487.04 g/mol. Its IUPAC name is dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane.

Molecular Properties

Compound Namedichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane
PubChem CID141389193
Molecular FormulaC7Cl2F16Si
Molecular Weight487.04 g/mol
Exact Mass485.89
IUPAC Namedichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)F
InChIInChI=1S/C7Cl2F16Si/c8-26(9,7(23,24)25)6(21,22)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)20
InChIKeyFHVUSUYNEGFVJQ-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 56.29
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-fluoro-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecyl)silane
CID 90422011
trichloro(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl)silane
CID 155573710
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
1-[diamino(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)silyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
CID 172721781
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl(trihydroxy)silane
CID 22610622
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 23523530
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-(trifluoromethoxy)-bis(trifluoromethyl)silane
CID 141429522
dichloro-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane;dichloro-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
CID 160824364
1,1,1,2,2,3,3,4,4-nonafluoro-4-triaminosilylbutane
CID 139751434
triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane
CID 175552208

Frequently Asked Questions

What is the IUPAC name of dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane?
The IUPAC name of dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane (CID 141389193) is dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane.
What is the SMILES notation for dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane?
The canonical SMILES for dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)F.
What is the InChIKey of dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane?
The InChIKey is FHVUSUYNEGFVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F16Si/c8-26(9,7(23,24)25)6(21,22)4(16,17)2(12,13)1(10,11)3(14,15)5(18,19)20.
What are the key properties of dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane?
dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane has a molecular weight of 487.04 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-(trifluoromethyl)silane is sourced from PubChem (CID 141389193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).