2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane

C21H18F3NO3Si — CID 57253892

IUPAC2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane
SMILESO=[N+]([O-])c1ccccc1CO[Si](CCF)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F3NO3Si/c22-13-14-29(19-9-5-17(23)6-10-19,20-11-7-18(24)8-12-20)28-15-16-3-1-2-4-21(16)25(26)27/h1-12H,13-15H2
InChIKeyVUZCKQDXNFFDRU-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.12
Rot. Bonds8

About 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane

2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane (PubChem CID 57253892) has the molecular formula C21H18F3NO3Si and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane.

Molecular Properties

Compound Name2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane
PubChem CID57253892
Molecular FormulaC21H18F3NO3Si
Molecular Weight417.46 g/mol
Exact Mass417.10
IUPAC Name2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane
SMILESO=[N+]([O-])c1ccccc1CO[Si](CCF)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18F3NO3Si/c22-13-14-29(19-9-5-17(23)6-10-19,20-11-7-18(24)8-12-20)28-15-16-3-1-2-4-21(16)25(26)27/h1-12H,13-15H2
InChIKeyVUZCKQDXNFFDRU-UHFFFAOYSA-N
XLogP4.12
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane
CID 57036722
(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
CID 18696391
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane
CID 22168290
(2-nitrophenyl)methoxymethanamine
CID 175012109
(4-fluorophenyl) 3-(2-nitrophenyl)propanoate
CID 156509085
(2-nitrophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848591
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
(2-nitrophenyl)methyl sulfite
CID 89385987

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane?
The IUPAC name of 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane (CID 57253892) is 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane.
What is the SMILES notation for 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane?
The canonical SMILES for 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane is O=[N+]([O-])c1ccccc1CO[Si](CCF)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane?
The InChIKey is VUZCKQDXNFFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3Si/c22-13-14-29(19-9-5-17(23)6-10-19,20-11-7-18(24)8-12-20)28-15-16-3-1-2-4-21(16)25(26)27/h1-12H,13-15H2.
What are the key properties of 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane?
2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane has a molecular weight of 417.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane is sourced from PubChem (CID 57253892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).