1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane

C12H24F12Si6 — CID 101176911

IUPAC1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane
SMILESF[Si]1(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC1
InChIInChI=1S/C12H24F12Si6/c13-25(14)1-2-26(15,16)5-6-28(19,20)9-10-30(23,24)12-11-29(21,22)8-7-27(17,18)4-3-25/h1-12H2
InChIKeyNKCSLYVOGCXLGS-UHFFFAOYSA-N
MW564.82 g/mol
LogP8.29
Rot. Bonds

About 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane

1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane (PubChem CID 101176911) has the molecular formula C12H24F12Si6 and a molecular weight of 564.82 g/mol. Its IUPAC name is 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane.

Molecular Properties

Compound Name1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane
PubChem CID101176911
Molecular FormulaC12H24F12Si6
Molecular Weight564.82 g/mol
Exact Mass564.03
IUPAC Name1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane
SMILESF[Si]1(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC1
InChIInChI=1S/C12H24F12Si6/c13-25(14)1-2-26(15,16)5-6-28(19,20)9-10-30(23,24)12-11-29(21,22)8-7-27(17,18)4-3-25/h1-12H2
InChIKeyNKCSLYVOGCXLGS-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Bis(t-butyldifluorosilyl)methane
CID 87144290
Tris[3-(fluorodimethylsilyl)-propyl]fluorosilane
CID 129828879
Tris(2-fluoroethyl)-[tris(2-fluoroethyl)silyloxy]silane
CID 57959159
Butyl-[2-[butyl(difluoro)silyl]ethyl]-difluorosilane
CID 87143779
CID 87143780
CID 87143780
4-[Diethyl(fluoro)silyl]butyl-diethyl-fluorosilane
CID 87143790
Fluoro-[[fluoro-di(propan-2-yl)silyl]methyl]-di(propan-2-yl)silane
CID 87143838
Butyl-[3-[butyl(difluoro)silyl]propyl]-difluorosilane
CID 87143869
CID 87143870
CID 87143870
2-[Diethyl(fluoro)silyl]ethyl-diethyl-fluorosilane
CID 87143901
Tert-butyl-[4-[tert-butyl(difluoro)silyl]butyl]-difluorosilane
CID 87144034
[Difluoro(propyl)silyl]methyl-difluoro-propylsilane
CID 87144063

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane?
The IUPAC name of 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane (CID 101176911) is 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane.
What is the SMILES notation for 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane?
The canonical SMILES for 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane is F[Si]1(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC[Si](F)(F)CC1.
What is the InChIKey of 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane?
The InChIKey is NKCSLYVOGCXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F12Si6/c13-25(14)1-2-26(15,16)5-6-28(19,20)9-10-30(23,24)12-11-29(21,22)8-7-27(17,18)4-3-25/h1-12H2.
What are the key properties of 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane?
1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane has a molecular weight of 564.82 g/mol, XLogP of 8.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4,7,7,10,10,13,13,16,16-dodecafluoro-1,4,7,10,13,16-hexasilacyclooctadecane is sourced from PubChem (CID 101176911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).