N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline

C15H22F5NO3Si — CID 90171452

IUPACN-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
SMILESCO[Si](CCCCNc1c(F)c(F)c(F)c(F)c1F)(OC)OC(C)C
InChIInChI=1S/C15H22F5NO3Si/c1-9(2)24-25(22-3,23-4)8-6-5-7-21-15-13(19)11(17)10(16)12(18)14(15)20/h9,21H,5-8H2,1-4H3
InChIKeyZYTFJLZBAKXEAQ-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.23
Rot. Bonds10

About N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline

N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline (PubChem CID 90171452) has the molecular formula C15H22F5NO3Si and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
PubChem CID90171452
Molecular FormulaC15H22F5NO3Si
Molecular Weight387.42 g/mol
Exact Mass387.13
IUPAC NameN-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
SMILESCO[Si](CCCCNc1c(F)c(F)c(F)c(F)c1F)(OC)OC(C)C
InChIInChI=1S/C15H22F5NO3Si/c1-9(2)24-25(22-3,23-4)8-6-5-7-21-15-13(19)11(17)10(16)12(18)14(15)20/h9,21H,5-8H2,1-4H3
InChIKeyZYTFJLZBAKXEAQ-UHFFFAOYSA-N
XLogP4.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[4-[diethyl(methoxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline
CID 90171944
1-(2,3,4,5,6-pentafluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170840
4-[dimethoxy(propan-2-yloxy)silyl]butyl 2,3,4,5,6-pentafluorobenzoate
CID 90172340
(2,3,4,5,6-pentafluorophenyl) N-[3-[methoxy-di(propan-2-yloxy)silyl]propyl]carbamate
CID 90172511
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
CID 90173436
3-[methoxy-di(propan-2-yloxy)silyl]propan-1-amine
CID 140917139
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
CID 90172610
1,3-bis[4-tri(propan-2-yloxy)silylbutyl]urea
CID 170548768

Frequently Asked Questions

What is the IUPAC name of N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline (CID 90171452) is N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline is CO[Si](CCCCNc1c(F)c(F)c(F)c(F)c1F)(OC)OC(C)C.
What is the InChIKey of N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
The InChIKey is ZYTFJLZBAKXEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F5NO3Si/c1-9(2)24-25(22-3,23-4)8-6-5-7-21-15-13(19)11(17)10(16)12(18)14(15)20/h9,21H,5-8H2,1-4H3.
What are the key properties of N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline?
N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline has a molecular weight of 387.42 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[dimethoxy(propan-2-yloxy)silyl]butyl]-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 90171452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).