2-fluoro-5-(2-nitroethenyl)thiophene

C6H4FNO2S — CID 141280078

IUPAC2-fluoro-5-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1ccc(F)s1
InChIInChI=1S/C6H4FNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H
InChIKeyGKRGELDXWZCCTB-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.13
Rot. Bonds2

About 2-fluoro-5-(2-nitroethenyl)thiophene

2-fluoro-5-(2-nitroethenyl)thiophene (PubChem CID 141280078) has the molecular formula C6H4FNO2S and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-fluoro-5-(2-nitroethenyl)thiophene.

Molecular Properties

Compound Name2-fluoro-5-(2-nitroethenyl)thiophene
PubChem CID141280078
Molecular FormulaC6H4FNO2S
Molecular Weight173.17 g/mol
Exact Mass172.99
IUPAC Name2-fluoro-5-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1ccc(F)s1
InChIInChI=1S/C6H4FNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H
InChIKeyGKRGELDXWZCCTB-UHFFFAOYSA-N
XLogP2.13
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Thiophene, 2-(2-nitroethenyl)-
CID 687329
2-(2-Nitroprop-1-en-1-yl)thiophene
CID 1550853
(E)-2-(2-Nitroethenyl)thiophene
CID 95586
2-(2-Nitro-1-propen-1-yl)thiophene
CID 238234
Thiophene, 2-(2-nitro-1-propenyl)-, (Z)-
CID 708806
2-[(Z)-2-nitroethenyl]thiophene
CID 1712459
2-[(Z)-2-fluoro-2-nitroethenyl]thiophene
CID 134863017
3-Methyl-2-(2-nitrovinyl)thiophene
CID 54505395
2-[(Z)-2-bromo-2-nitroethenyl]thiophene
CID 13255487
2-Bromo-5-[(1E)-2-nitroethenyl]thiophene
CID 14929132
2-[(Z)-2-chloro-2-nitroethenyl]thiophene
CID 14971167
2-[(E)-1-nitroprop-1-en-2-yl]thiophene
CID 67237190

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-nitroethenyl)thiophene?
The IUPAC name of 2-fluoro-5-(2-nitroethenyl)thiophene (CID 141280078) is 2-fluoro-5-(2-nitroethenyl)thiophene.
What is the SMILES notation for 2-fluoro-5-(2-nitroethenyl)thiophene?
The canonical SMILES for 2-fluoro-5-(2-nitroethenyl)thiophene is O=[N+]([O-])C=Cc1ccc(F)s1.
What is the InChIKey of 2-fluoro-5-(2-nitroethenyl)thiophene?
The InChIKey is GKRGELDXWZCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2S/c7-6-2-1-5(11-6)3-4-8(9)10/h1-4H.
What are the key properties of 2-fluoro-5-(2-nitroethenyl)thiophene?
2-fluoro-5-(2-nitroethenyl)thiophene has a molecular weight of 173.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-nitroethenyl)thiophene is sourced from PubChem (CID 141280078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).