[(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane

C10H10ClF4NO3S — CID 90100348

IUPAC[(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane
SMILESCCO/C=C(/Cl)S(F)(F)(F)(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10ClF4NO3S/c1-2-19-7-10(11)20(12,13,14,15)9-5-3-8(4-6-9)16(17)18/h3-7H,2H2,1H3/b10-7-
InChIKeyKOVXJFNSIZOJIO-YFHOEESVSA-N
MW335.71 g/mol
LogP5.44
Rot. Bonds5

About [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane

[(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane (PubChem CID 90100348) has the molecular formula C10H10ClF4NO3S and a molecular weight of 335.71 g/mol. Its IUPAC name is [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane.

Molecular Properties

Compound Name[(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane
PubChem CID90100348
Molecular FormulaC10H10ClF4NO3S
Molecular Weight335.71 g/mol
Exact Mass335.00
IUPAC Name[(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane
SMILESCCO/C=C(/Cl)S(F)(F)(F)(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10ClF4NO3S/c1-2-19-7-10(11)20(12,13,14,15)9-5-3-8(4-6-9)16(17)18/h3-7H,2H2,1H3/b10-7-
InChIKeyKOVXJFNSIZOJIO-YFHOEESVSA-N
XLogP5.44
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.71
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-(benzenesulfonyl)-2-ethoxyethenyl]sulfonyl-4-nitrobenzene
CID 88656944
1-(2,2-dichloroethenoxy)-4-nitrobenzene
CID 172715409
ethyl (3R)-3-amino-2,2-difluoro-3-(4-nitrophenyl)propanoate
CID 171238892
O-ethyl (E)-3-(4-nitrophenyl)prop-2-enethioate
CID 6450716
butan-2-yl N-(4-nitrophenyl)sulfonylcarbamate
CID 20976288
ethanol;1-methyl-4-nitrobenzene
CID 91088173
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene
CID 44549550
[ethoxy-(4-nitrophenyl)methylidene]azanium
CID 140653146
lithium;[(E)-2-chlorohex-1-enyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane;tetrafluoro-hex-1-ynyl-(4-nitrophenyl)-λ6-sulfane;dihydroxide
CID 159898305
ethyl (Z)-3-(4-nitrophenyl)sulfonylprop-2-enoate
CID 15327324
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987

Frequently Asked Questions

What is the IUPAC name of [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
The IUPAC name of [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane (CID 90100348) is [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane.
What is the SMILES notation for [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
The canonical SMILES for [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane is CCO/C=C(/Cl)S(F)(F)(F)(F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
The InChIKey is KOVXJFNSIZOJIO-YFHOEESVSA-N. The full InChI is InChI=1S/C10H10ClF4NO3S/c1-2-19-7-10(11)20(12,13,14,15)9-5-3-8(4-6-9)16(17)18/h3-7H,2H2,1H3/b10-7-.
What are the key properties of [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane?
[(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane has a molecular weight of 335.71 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-chloro-2-ethoxyethenyl]-tetrafluoro-(4-nitrophenyl)-λ6-sulfane is sourced from PubChem (CID 90100348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).