(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate

C13H16F5NO5Si — CID 90171931

IUPAC(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
SMILESCCO[Si](CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC)OCC
InChIInChI=1S/C13H16F5NO5Si/c1-4-22-25(21-3,23-5-2)6-19-13(20)24-12-10(17)8(15)7(14)9(16)11(12)18/h4-6H2,1-3H3,(H,19,20)
InChIKeyVENKEVJSSGVADT-UHFFFAOYSA-N
MW389.35 g/mol
LogP2.67
Rot. Bonds8

About (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate

(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate (PubChem CID 90171931) has the molecular formula C13H16F5NO5Si and a molecular weight of 389.35 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
PubChem CID90171931
Molecular FormulaC13H16F5NO5Si
Molecular Weight389.35 g/mol
Exact Mass389.07
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
SMILESCCO[Si](CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC)OCC
InChIInChI=1S/C13H16F5NO5Si/c1-4-22-25(21-3,23-5-2)6-19-13(20)24-12-10(17)8(15)7(14)9(16)11(12)18/h4-6H2,1-3H3,(H,19,20)
InChIKeyVENKEVJSSGVADT-UHFFFAOYSA-N
XLogP2.67
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate
CID 90173744
(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate
CID 90172406
(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
CID 90172511
ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
CID 90173031
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
CID 90173094
(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
CID 90172412
ethane;ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
CID 171836152
2,3,4,5,6-pentafluoro-N-(triethoxysilylmethyl)aniline
CID 90172770
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate (CID 90171931) is (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate is CCO[Si](CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC)OCC.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate?
The InChIKey is VENKEVJSSGVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO5Si/c1-4-22-25(21-3,23-5-2)6-19-13(20)24-12-10(17)8(15)7(14)9(16)11(12)18/h4-6H2,1-3H3,(H,19,20).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate?
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate has a molecular weight of 389.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate is sourced from PubChem (CID 90171931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).