(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate

C17H24F5NO5Si — CID 90172406

IUPAC(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate
SMILESCC(C)O[Si](CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC(C)C)OC(C)C
InChIInChI=1S/C17H24F5NO5Si/c1-8(2)26-29(27-9(3)4,28-10(5)6)7-23-17(24)25-16-14(21)12(19)11(18)13(20)15(16)22/h8-10H,7H2,1-6H3,(H,23,24)
InChIKeyMQZIWWIRTCMCAK-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.22
Rot. Bonds9

About (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate

(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate (PubChem CID 90172406) has the molecular formula C17H24F5NO5Si and a molecular weight of 445.46 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate
PubChem CID90172406
Molecular FormulaC17H24F5NO5Si
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC Name(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate
SMILESCC(C)O[Si](CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC(C)C)OC(C)C
InChIInChI=1S/C17H24F5NO5Si/c1-8(2)26-29(27-9(3)4,28-10(5)6)7-23-17(24)25-16-14(21)12(19)11(18)13(20)15(16)22/h8-10H,7H2,1-6H3,(H,23,24)
InChIKeyMQZIWWIRTCMCAK-UHFFFAOYSA-N
XLogP4.22
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate (CID 90172406) is (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate is CC(C)O[Si](CNC(=O)Oc1c(F)c(F)c(F)c(F)c1F)(OC(C)C)OC(C)C.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate?
The InChIKey is MQZIWWIRTCMCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F5NO5Si/c1-8(2)26-29(27-9(3)4,28-10(5)6)7-23-17(24)25-16-14(21)12(19)11(18)13(20)15(16)22/h8-10H,7H2,1-6H3,(H,23,24).
What are the key properties of (2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate?
(2,3,4,5,6-pentafluorophenyl) N-[tri(propan-2-yloxy)silylmethyl]carbamate has a molecular weight of 445.46 g/mol, XLogP of 4.22, 9 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-[tri(propan-2-yloxy)silylmethyl]carbamate is sourced from PubChem (CID 90172406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).