CID 167434962

C10H9F14O2Si — CID 167434962

IUPAC—
SMILESCO[Si](OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C10H9F14O2Si/c1-25-27(26-2)10(23,24)9(21,22)8(19,20)7(17,18)6(15,16)4(11)3-5(12,13)14/h4H,3H2,1-2H3
InChIKeyOTRQMDZQYIBMPB-UHFFFAOYSA-N
MW455.24 g/mol
LogP4.77
Rot. Bonds9

About CID 167434962

CID 167434962 (PubChem CID 167434962) has the molecular formula C10H9F14O2Si and a molecular weight of 455.24 g/mol.

Molecular Properties

Compound NameCID 167434962
PubChem CID167434962
Molecular FormulaC10H9F14O2Si
Molecular Weight455.24 g/mol
Exact Mass455.01
IUPAC Name—
SMILESCO[Si](OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C10H9F14O2Si/c1-25-27(26-2)10(23,24)9(21,22)8(19,20)7(17,18)6(15,16)4(11)3-5(12,13)14/h4H,3H2,1-2H3
InChIKeyOTRQMDZQYIBMPB-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.24
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 170562709
CID 170562709
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-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
CID 141204802
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
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecane-1-sulfonate
CID 141492156
1,1,2,2,3,3,4,4,5,7,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
CID 71374003
1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
CID 141085282
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,11,11,11-icosafluoroundecoxy)ethenylbenzene
CID 151926824
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 167434962?
The IUPAC name of CID 167434962 (CID 167434962) is not available.
What is the SMILES notation for CID 167434962?
The canonical SMILES for CID 167434962 is CO[Si](OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of CID 167434962?
The InChIKey is OTRQMDZQYIBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F14O2Si/c1-25-27(26-2)10(23,24)9(21,22)8(19,20)7(17,18)6(15,16)4(11)3-5(12,13)14/h4H,3H2,1-2H3.
What are the key properties of CID 167434962?
CID 167434962 has a molecular weight of 455.24 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167434962 is sourced from PubChem (CID 167434962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).