2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene

C10H4F2N2O4S2 — CID 10615473

IUPAC2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(/C(F)=C(\F)c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C10H4F2N2O4S2/c11-9(5-1-3-7(19-5)13(15)16)10(12)6-2-4-8(20-6)14(17)18/h1-4H/b10-9+
InChIKeyYTTJFOXAIGQWCQ-MDZDMXLPSA-N
MW318.28 g/mol
LogP4.39
Rot. Bonds4

About 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene

2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene (PubChem CID 10615473) has the molecular formula C10H4F2N2O4S2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene.

Molecular Properties

Compound Name2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
PubChem CID10615473
Molecular FormulaC10H4F2N2O4S2
Molecular Weight318.28 g/mol
Exact Mass317.96
IUPAC Name2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
SMILESO=[N+]([O-])c1ccc(/C(F)=C(\F)c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C10H4F2N2O4S2/c11-9(5-1-3-7(19-5)13(15)16)10(12)6-2-4-8(20-6)14(17)18/h1-4H/b10-9+
InChIKeyYTTJFOXAIGQWCQ-MDZDMXLPSA-N
XLogP4.39
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
2,5-bis(5-nitrothiophen-2-yl)thiophene
CID 11046018
5-nitrothiophene-2-carboximidamide;hydrochloride
CID 156732802
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
3-nitro-3-(5-nitrothiophen-2-yl)prop-2-enenitrile
CID 173303196
1-cyclopenta-2,4-dien-1-yl-2-(5-nitrothiophen-2-yl)ethane-1,2-dione
CID 101042746
1-(5-nitrothiophene-2-carbonyl)piperidin-4-one
CID 103600797
N-(1-hydroxybutan-2-yl)-5-nitrothiophene-2-carboxamide
CID 43390314
(4-methylphenyl) 5-nitrothiophene-2-carboxylate
CID 121014932
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
ethyl 5-nitrothiophene-2-carboximidate
CID 2726435
N-(2-methoxyethoxy)-5-nitrothiophene-2-carboxamide
CID 79676242

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene?
The IUPAC name of 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene (CID 10615473) is 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene.
What is the SMILES notation for 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene?
The canonical SMILES for 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene is O=[N+]([O-])c1ccc(/C(F)=C(\F)c2ccc([N+](=O)[O-])s2)s1.
What is the InChIKey of 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene?
The InChIKey is YTTJFOXAIGQWCQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H4F2N2O4S2/c11-9(5-1-3-7(19-5)13(15)16)10(12)6-2-4-8(20-6)14(17)18/h1-4H/b10-9+.
What are the key properties of 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene?
2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene has a molecular weight of 318.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene is sourced from PubChem (CID 10615473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).