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

C12H14F5NO5Si — CID 90173744

IUPAC(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate
SMILESCCO[Si](O)(CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCC
InChIInChI=1S/C12H14F5NO5Si/c1-3-21-24(20,22-4-2)5-18-12(19)23-11-9(16)7(14)6(13)8(15)10(11)17/h20H,3-5H2,1-2H3,(H,18,19)
InChIKeyINOOTHCCPIMHSK-UHFFFAOYSA-N
MW375.32 g/mol
LogP2.01
Rot. Bonds7

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

(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate (PubChem CID 90173744) has the molecular formula C12H14F5NO5Si and a molecular weight of 375.32 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate
PubChem CID90173744
Molecular FormulaC12H14F5NO5Si
Molecular Weight375.32 g/mol
Exact Mass375.06
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate
SMILESCCO[Si](O)(CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCC
InChIInChI=1S/C12H14F5NO5Si/c1-3-21-24(20,22-4-2)5-18-12(19)23-11-9(16)7(14)6(13)8(15)10(11)17/h20H,3-5H2,1-2H3,(H,18,19)
InChIKeyINOOTHCCPIMHSK-UHFFFAOYSA-N
XLogP2.01
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate (CID 90173744) is (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate is CCO[Si](O)(CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCC.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate?
The InChIKey is INOOTHCCPIMHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO5Si/c1-3-21-24(20,22-4-2)5-18-12(19)23-11-9(16)7(14)6(13)8(15)10(11)17/h20H,3-5H2,1-2H3,(H,18,19).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate?
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(hydroxy)silyl]methyl]carbamate has a molecular weight of 375.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 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(hydroxy)silyl]methyl]carbamate is sourced from PubChem (CID 90173744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).