N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline

C15H22F5NOSi — CID 90171944

IUPACN-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
SMILESCC[Si](CC)(CCCCNc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C15H22F5NOSi/c1-4-23(5-2,22-3)9-7-6-8-21-15-13(19)11(17)10(16)12(18)14(15)20/h21H,4-9H2,1-3H3
InChIKeyHWOUGAVGFCPZOK-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.21
Rot. Bonds9

About N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline

N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline (PubChem CID 90171944) has the molecular formula C15H22F5NOSi and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
PubChem CID90171944
Molecular FormulaC15H22F5NOSi
Molecular Weight355.42 g/mol
Exact Mass355.14
IUPAC NameN-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
SMILESCC[Si](CC)(CCCCNc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C15H22F5NOSi/c1-4-23(5-2,22-3)9-7-6-8-21-15-13(19)11(17)10(16)12(18)14(15)20/h21H,4-9H2,1-3H3
InChIKeyHWOUGAVGFCPZOK-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline (CID 90171944) is N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline is CC[Si](CC)(CCCCNc1c(F)c(F)c(F)c(F)c1F)OC.
What is the InChIKey of N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is HWOUGAVGFCPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F5NOSi/c1-4-23(5-2,22-3)9-7-6-8-21-15-13(19)11(17)10(16)12(18)14(15)20/h21H,4-9H2,1-3H3.
What are the key properties of N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 355.42 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 90171944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).