(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate

C14H18F5NO4Si — CID 90174768

IUPAC(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate
SMILESCO[Si](C)(CCCCN(F)C(=O)Oc1cc(F)c(F)c(F)c1F)OC
InChIInChI=1S/C14H18F5NO4Si/c1-22-25(3,23-2)7-5-4-6-20(19)14(21)24-10-8-9(15)11(16)13(18)12(10)17/h8H,4-7H2,1-3H3
InChIKeyZUCQRLDTGZDBPT-UHFFFAOYSA-N
MW387.38 g/mol
LogP4.07
Rot. Bonds8

About (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate

(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate (PubChem CID 90174768) has the molecular formula C14H18F5NO4Si and a molecular weight of 387.38 g/mol. Its IUPAC name is (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate.

Molecular Properties

Compound Name(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate
PubChem CID90174768
Molecular FormulaC14H18F5NO4Si
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate
SMILESCO[Si](C)(CCCCN(F)C(=O)Oc1cc(F)c(F)c(F)c1F)OC
InChIInChI=1S/C14H18F5NO4Si/c1-22-25(3,23-2)7-5-4-6-20(19)14(21)24-10-8-9(15)11(16)13(18)12(10)17/h8H,4-7H2,1-3H3
InChIKeyZUCQRLDTGZDBPT-UHFFFAOYSA-N
XLogP4.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5-tetrafluorophenyl) N-[3-[diethyl(methoxy)silyl]propyl]-N-fluorocarbamate
CID 90170629
N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
CID 90170601
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
N-[3-[diethyl(methoxy)silyl]propyl]-N,2,3,4,5-pentafluorobenzamide
CID 90170617
(2,3,4,5-tetrafluorophenyl) pentanoate
CID 174399623
(2,3,4,5-tetrafluorophenyl) 2-oxopropanoate
CID 143785419
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081
1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90172008
1-[3-[ethoxy(dimethoxy)silyl]propyl]-1,3-difluoro-3-(2,3,4-trifluorophenyl)urea
CID 90170159
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
[diacetyloxy-[4-[fluoro-[fluoro-(2,3,4-trifluorophenyl)carbamoyl]amino]butyl]silyl] acetate
CID 90174159

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate?
The IUPAC name of (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate (CID 90174768) is (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate.
What is the SMILES notation for (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate?
The canonical SMILES for (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate is CO[Si](C)(CCCCN(F)C(=O)Oc1cc(F)c(F)c(F)c1F)OC.
What is the InChIKey of (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate?
The InChIKey is ZUCQRLDTGZDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5NO4Si/c1-22-25(3,23-2)7-5-4-6-20(19)14(21)24-10-8-9(15)11(16)13(18)12(10)17/h8H,4-7H2,1-3H3.
What are the key properties of (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate?
(2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate has a molecular weight of 387.38 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrafluorophenyl) N-[4-[dimethoxy(methyl)silyl]butyl]-N-fluorocarbamate is sourced from PubChem (CID 90174768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).