dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane

C16H14F5NO3Si — CID 91720878

IUPACdimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCc1cccc(CO[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C16H14F5NO3Si/c1-8-5-4-6-9(15(8)22(23)24)7-25-26(2,3)16-13(20)11(18)10(17)12(19)14(16)21/h4-6H,7H2,1-3H3
InChIKeyVLKFZUPHUDMXQK-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.23
Rot. Bonds5

About dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane

dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91720878) has the molecular formula C16H14F5NO3Si and a molecular weight of 391.37 g/mol. Its IUPAC name is dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91720878
Molecular FormulaC16H14F5NO3Si
Molecular Weight391.37 g/mol
Exact Mass391.07
IUPAC Namedimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCc1cccc(CO[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C16H14F5NO3Si/c1-8-5-4-6-9(15(8)22(23)24)7-25-26(2,3)16-13(20)11(18)10(17)12(19)14(16)21/h4-6H,7H2,1-3H3
InChIKeyVLKFZUPHUDMXQK-UHFFFAOYSA-N
XLogP4.23
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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

(3-methyl-2-nitrophenyl)methyl carbonobromidate
CID 90976440
dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane
CID 91697507
(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
CID 91736361
2-[(3-methyl-2-nitrophenyl)methoxy]oxane
CID 11622955
(3-methyl-2-nitrophenyl)methyl carbonochloridate
CID 87481988
(3-methyl-2-nitrophenyl)methylhydrazine
CID 53402772
2-fluoro-3-[(3-methyl-2-nitrophenoxy)methyl]benzonitrile
CID 103912351
1-O-ethyl 10-O-[(3-methyl-2-nitrophenyl)methyl] decanedioate
CID 91720215
ethanamine;1-fluoro-3-methyl-2-nitrobenzene;methane;1-methyl-2-nitro-3-propylbenzene;hydrochloride
CID 159821391
methyl 4,5-difluoro-2-[(3-methyl-2-nitrophenyl)methoxycarbonylamino]benzoate
CID 169223544
ethyl 2-[(3-methyl-2-nitrophenyl)methyl]-3-oxobutanoate
CID 142730406
1-[[2-(difluoromethoxy)phenyl]methoxy]-3-methyl-2-nitrobenzene
CID 112828246

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane (CID 91720878) is dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane is Cc1cccc(CO[Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c1[N+](=O)[O-].
What is the InChIKey of dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is VLKFZUPHUDMXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5NO3Si/c1-8-5-4-6-9(15(8)22(23)24)7-25-26(2,3)16-13(20)11(18)10(17)12(19)14(16)21/h4-6H,7H2,1-3H3.
What are the key properties of dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 391.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91720878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).