1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea

C14H19F5N2O3Si — CID 90172008

IUPAC1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
SMILESCO[Si](C)(CCCCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C14H19F5N2O3Si/c1-23-25(3,24-2)7-5-4-6-20-14(22)21-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H2,20,21,22)
InChIKeyMZQUAULFTOOLBA-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.65
Rot. Bonds8

About 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea

1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea (PubChem CID 90172008) has the molecular formula C14H19F5N2O3Si and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
PubChem CID90172008
Molecular FormulaC14H19F5N2O3Si
Molecular Weight386.39 g/mol
Exact Mass386.11
IUPAC Name1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
SMILESCO[Si](C)(CCCCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)OC
InChIInChI=1S/C14H19F5N2O3Si/c1-23-25(3,24-2)7-5-4-6-20-14(22)21-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H2,20,21,22)
InChIKeyMZQUAULFTOOLBA-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
1-[3-[ethyl(dimethoxy)silyl]propyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90184613
1-(2,3,4,5,6-pentafluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170840
(2,3,4,5,6-pentafluorophenyl) N-[4-[methoxy(dimethyl)silyl]butyl]carbamate
CID 90172412
1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea
CID 150831276
N-[4-[dihydroxy(methoxy)silyl]butyl]-2,3,4,5,6-pentafluorobenzamide
CID 90170706
1-[5-[diethoxy(hydroxy)methyl]tridecyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 151465673
1-(2,3,4,5,6-pentafluorophenyl)-3-[5-(tripropoxymethyl)tridecyl]urea
CID 151001293
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
dimethoxy-methyl-[8-(2,3,4,5,6-pentafluorophenyl)octyl]silane
CID 90173798
dimethoxy-methyl-[5-(2,3,4,5,6-pentafluorophenyl)pentyl]silane
CID 90172442
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140

Frequently Asked Questions

What is the IUPAC name of 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
The IUPAC name of 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea (CID 90172008) is 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea.
What is the SMILES notation for 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
The canonical SMILES for 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea is CO[Si](C)(CCCCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)OC.
What is the InChIKey of 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
The InChIKey is MZQUAULFTOOLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F5N2O3Si/c1-23-25(3,24-2)7-5-4-6-20-14(22)21-13-11(18)9(16)8(15)10(17)12(13)19/h4-7H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea has a molecular weight of 386.39 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea is sourced from PubChem (CID 90172008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).