CID 164728429

C10H17F6N2O4S2Si — CID 164728429

IUPAC—
SMILESCC1CC[N+](C)([Si])C1(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H17NSi.C2F6NO4S2/c1-7-5-6-9(4,10)8(7,2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,5-6H2,1-4H3;/q+1;-1
InChIKeyYKJSHNPDWWMSCL-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.39
Rot. Bonds2

About CID 164728429

CID 164728429 (PubChem CID 164728429) has the molecular formula C10H17F6N2O4S2Si and a molecular weight of 435.46 g/mol.

Molecular Properties

Compound NameCID 164728429
PubChem CID164728429
Molecular FormulaC10H17F6N2O4S2Si
Molecular Weight435.46 g/mol
Exact Mass435.03
IUPAC Name—
SMILESCC1CC[N+](C)([Si])C1(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H17NSi.C2F6NO4S2/c1-7-5-6-9(4,10)8(7,2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,5-6H2,1-4H3;/q+1;-1
InChIKeyYKJSHNPDWWMSCL-UHFFFAOYSA-N
XLogP2.39
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164728429?
The IUPAC name of CID 164728429 (CID 164728429) is not available.
What is the SMILES notation for CID 164728429?
The canonical SMILES for CID 164728429 is CC1CC[N+](C)([Si])C1(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 164728429?
The InChIKey is YKJSHNPDWWMSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NSi.C2F6NO4S2/c1-7-5-6-9(4,10)8(7,2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,5-6H2,1-4H3;/q+1;-1.
What are the key properties of CID 164728429?
CID 164728429 has a molecular weight of 435.46 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164728429 is sourced from PubChem (CID 164728429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).