1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea

C14H19F5N2O4Si — CID 90170159

IUPAC1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea
SMILESCCO[Si](CCCN(F)C(=O)N(F)c1ccc(F)c(F)c1F)(OC)OC
InChIInChI=1S/C14H19F5N2O4Si/c1-4-25-26(23-2,24-3)9-5-8-20(18)14(22)21(19)11-7-6-10(15)12(16)13(11)17/h6-7H,4-5,8-9H2,1-3H3
InChIKeyARILCXOCNSSKPK-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.76
Rot. Bonds9

About 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea

1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea (PubChem CID 90170159) has the molecular formula C14H19F5N2O4Si and a molecular weight of 402.39 g/mol. Its IUPAC name is 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea
PubChem CID90170159
Molecular FormulaC14H19F5N2O4Si
Molecular Weight402.39 g/mol
Exact Mass402.10
IUPAC Name1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea
SMILESCCO[Si](CCCN(F)C(=O)N(F)c1ccc(F)c(F)c1F)(OC)OC
InChIInChI=1S/C14H19F5N2O4Si/c1-4-25-26(23-2,24-3)9-5-8-20(18)14(22)21(19)11-7-6-10(15)12(16)13(11)17/h6-7H,4-5,8-9H2,1-3H3
InChIKeyARILCXOCNSSKPK-UHFFFAOYSA-N
XLogP3.76
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

[diacetyloxy-[4-[fluoro-[fluoro-(2,3,4-trifluorophenyl)carbamoyl]amino]butyl]silyl] acetate
CID 90174159
1,3-difluoro-1-(2,3,4-trifluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170842
N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
CID 90170601
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
CID 90173094
N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide
CID 90170617
(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
(2,3,4,5-tetrafluorophenyl) N-[3-[diethyl(methoxy)silyl]propyl]-N-fluorocarbamate
CID 90170629
ethoxy-dimethoxy-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90174390
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea (CID 90170159) is 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea is CCO[Si](CCCN(F)C(=O)N(F)c1ccc(F)c(F)c1F)(OC)OC.
What is the InChIKey of 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is ARILCXOCNSSKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5N2O4Si/c1-4-25-26(23-2,24-3)9-5-8-20(18)14(22)21(19)11-7-6-10(15)12(16)13(11)17/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea?
1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 402.39 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 90170159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).