N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide

C12H14F5NO3Si — CID 90171563

IUPACN-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCC[Si](CNC(=O)c1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C12H14F5NO3Si/c1-4-22(20-2,21-3)5-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h4-5H2,1-3H3,(H,18,19)
InChIKeyJSNHQPQVAVBINR-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.41
Rot. Bonds6

About N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide

N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 90171563) has the molecular formula C12H14F5NO3Si and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID90171563
Molecular FormulaC12H14F5NO3Si
Molecular Weight343.32 g/mol
Exact Mass343.07
IUPAC NameN-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide
SMILESCC[Si](CNC(=O)c1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C12H14F5NO3Si/c1-4-22(20-2,21-3)5-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h4-5H2,1-3H3,(H,18,19)
InChIKeyJSNHQPQVAVBINR-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
1-[3-[ethyl(dimethoxy)silyl]propyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90184613
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
CID 59753258
2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243310
2,3,4,5,6-pentafluoro-N-prop-2-ynylbenzamide
CID 60697788
methyl 2-chloro-3-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
CID 103492989
N-(2-ethyl-2-hydroxybutyl)-2,3,4,5,6-pentafluorobenzamide
CID 65113934
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
N-(3,3-dimethyl-2-oxobutyl)-2,3,4,5,6-pentafluorobenzamide
CID 64991463
2,3,5,6-tetrafluoro-4-(octan-4-ylamino)-N-(2-trimethoxysilylethyl)benzamide
CID 59172569
2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
CID 106120495

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide (CID 90171563) is N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide is CC[Si](CNC(=O)c1c(F)c(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is JSNHQPQVAVBINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO3Si/c1-4-22(20-2,21-3)5-18-12(19)6-7(13)9(15)11(17)10(16)8(6)14/h4-5H2,1-3H3,(H,18,19).
What are the key properties of N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide?
N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 343.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(dimethoxy)silyl]methyl]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 90171563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).