CID 170562709

C11H13F12OSi — CID 170562709

IUPAC—
SMILESCCC[Si](OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C11H13F12OSi/c1-3-4-25(24-2)11(22,23)10(20,21)9(18,19)8(16,17)6(12)5-7(13,14)15/h6H,3-5H2,1-2H3
InChIKeyCSPSILKWJMGLBT-UHFFFAOYSA-N
MW417.29 g/mol
LogP5.41
Rot. Bonds9

About CID 170562709

CID 170562709 (PubChem CID 170562709) has the molecular formula C11H13F12OSi and a molecular weight of 417.29 g/mol.

Molecular Properties

Compound NameCID 170562709
PubChem CID170562709
Molecular FormulaC11H13F12OSi
Molecular Weight417.29 g/mol
Exact Mass417.05
IUPAC Name—
SMILESCCC[Si](OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C11H13F12OSi/c1-3-4-25(24-2)11(22,23)10(20,21)9(18,19)8(16,17)6(12)5-7(13,14)15/h6H,3-5H2,1-2H3
InChIKeyCSPSILKWJMGLBT-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 167434962
CID 167434962
dimethoxy(1,1,2,2,3,3,4,4,5,5,6,8,8,8-tetradecafluorooctyl)silane
CID 175373175
trimethoxy(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,10,10,10-octadecafluorodecyl)silane
CID 177311634
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
CID 171647533
1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
CID 141085282
2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctanoyl 2,2,3,3,4,4,5,5,6,8,8,8-dodecafluorooctaneperoxoate
CID 175336561
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
CID 141204802
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 71374003
1,1,2,4,4,4-hexafluoro-1-propoxybutane
CID 175770445
dichloro-[3-(1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptoxy)propyl]-methylsilane
CID 141130012

Frequently Asked Questions

What is the IUPAC name of CID 170562709?
The IUPAC name of CID 170562709 (CID 170562709) is not available.
What is the SMILES notation for CID 170562709?
The canonical SMILES for CID 170562709 is CCC[Si](OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of CID 170562709?
The InChIKey is CSPSILKWJMGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F12OSi/c1-3-4-25(24-2)11(22,23)10(20,21)9(18,19)8(16,17)6(12)5-7(13,14)15/h6H,3-5H2,1-2H3.
What are the key properties of CID 170562709?
CID 170562709 has a molecular weight of 417.29 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170562709 is sourced from PubChem (CID 170562709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).