CID 177207437

C14H18F2NO2Si — CID 177207437

IUPAC—
SMILESC[C@@H]1CO[C@H](Cc2cccc(OC(F)F)c2)[C@@](C)([Si])N1
InChIInChI=1S/C14H18F2NO2Si/c1-9-8-18-12(14(2,20)17-9)7-10-4-3-5-11(6-10)19-13(15)16/h3-6,9,12-13,17H,7-8H2,1-2H3/t9-,12-,14-/m1/s1
InChIKeyRJURGGOPAUKDDI-GAJTVXKRSA-N
MW298.38 g/mol
LogP2.09
Rot. Bonds4

About CID 177207437

CID 177207437 (PubChem CID 177207437) has the molecular formula C14H18F2NO2Si and a molecular weight of 298.38 g/mol.

Molecular Properties

Compound NameCID 177207437
PubChem CID177207437
Molecular FormulaC14H18F2NO2Si
Molecular Weight298.38 g/mol
Exact Mass298.11
IUPAC Name—
SMILESC[C@@H]1CO[C@H](Cc2cccc(OC(F)F)c2)[C@@](C)([Si])N1
InChIInChI=1S/C14H18F2NO2Si/c1-9-8-18-12(14(2,20)17-9)7-10-4-3-5-11(6-10)19-13(15)16/h3-6,9,12-13,17H,7-8H2,1-2H3/t9-,12-,14-/m1/s1
InChIKeyRJURGGOPAUKDDI-GAJTVXKRSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 177207437?
The IUPAC name of CID 177207437 (CID 177207437) is not available.
What is the SMILES notation for CID 177207437?
The canonical SMILES for CID 177207437 is C[C@@H]1CO[C@H](Cc2cccc(OC(F)F)c2)[C@@](C)([Si])N1.
What is the InChIKey of CID 177207437?
The InChIKey is RJURGGOPAUKDDI-GAJTVXKRSA-N. The full InChI is InChI=1S/C14H18F2NO2Si/c1-9-8-18-12(14(2,20)17-9)7-10-4-3-5-11(6-10)19-13(15)16/h3-6,9,12-13,17H,7-8H2,1-2H3/t9-,12-,14-/m1/s1.
What are the key properties of CID 177207437?
CID 177207437 has a molecular weight of 298.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177207437 is sourced from PubChem (CID 177207437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).