CID 144865108

C13H15F2NOSi- — CID 144865108

IUPAC—
SMILESC[Si-](C)(C)OC1(C#N)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C13H15F2NOSi/c1-18(2,3)17-13(8-16)6-9-4-11(14)12(15)5-10(9)7-13/h4-5H,6-7H2,1-3H3/q-1
InChIKeyJTPUIHONXQPXHA-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.18
Rot. Bonds2

About CID 144865108

CID 144865108 (PubChem CID 144865108) has the molecular formula C13H15F2NOSi- and a molecular weight of 267.35 g/mol.

Molecular Properties

Compound NameCID 144865108
PubChem CID144865108
Molecular FormulaC13H15F2NOSi-
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name—
SMILESC[Si-](C)(C)OC1(C#N)Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C13H15F2NOSi/c1-18(2,3)17-13(8-16)6-9-4-11(14)12(15)5-10(9)7-13/h4-5H,6-7H2,1-3H3/q-1
InChIKeyJTPUIHONXQPXHA-UHFFFAOYSA-N
XLogP3.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 144865108?
The IUPAC name of CID 144865108 (CID 144865108) is not available.
What is the SMILES notation for CID 144865108?
The canonical SMILES for CID 144865108 is C[Si-](C)(C)OC1(C#N)Cc2cc(F)c(F)cc2C1.
What is the InChIKey of CID 144865108?
The InChIKey is JTPUIHONXQPXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NOSi/c1-18(2,3)17-13(8-16)6-9-4-11(14)12(15)5-10(9)7-13/h4-5H,6-7H2,1-3H3/q-1.
What are the key properties of CID 144865108?
CID 144865108 has a molecular weight of 267.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144865108 is sourced from PubChem (CID 144865108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).