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

C6H4FNO2S — CID 175581016

IUPAC2-(2-fluoro-2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C(F)=Cc1cccs1
InChIInChI=1S/C6H4FNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H
InChIKeyKCCNWYJIMZHACX-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.29
Rot. Bonds2

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

2-(2-fluoro-2-nitroethenyl)thiophene (PubChem CID 175581016) has the molecular formula C6H4FNO2S and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(2-fluoro-2-nitroethenyl)thiophene.

Molecular Properties

Compound Name2-(2-fluoro-2-nitroethenyl)thiophene
PubChem CID175581016
Molecular FormulaC6H4FNO2S
Molecular Weight173.17 g/mol
Exact Mass172.99
IUPAC Name2-(2-fluoro-2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C(F)=Cc1cccs1
InChIInChI=1S/C6H4FNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H
InChIKeyKCCNWYJIMZHACX-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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

CID 687329
CID 687329
CID 1550853
CID 1550853
CID 95586
CID 95586
CID 238234
CID 238234
CID 708806
CID 708806
CID 1712459
CID 1712459
CID 11105610
CID 11105610
CID 134863017
CID 134863017
CID 54505395
CID 54505395
CID 13255487
CID 13255487
CID 14971167
CID 14971167
CID 23057404
CID 23057404

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-nitroethenyl)thiophene?
The IUPAC name of 2-(2-fluoro-2-nitroethenyl)thiophene (CID 175581016) is 2-(2-fluoro-2-nitroethenyl)thiophene.
What is the SMILES notation for 2-(2-fluoro-2-nitroethenyl)thiophene?
The canonical SMILES for 2-(2-fluoro-2-nitroethenyl)thiophene is O=[N+]([O-])C(F)=Cc1cccs1.
What is the InChIKey of 2-(2-fluoro-2-nitroethenyl)thiophene?
The InChIKey is KCCNWYJIMZHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2S/c7-6(8(9)10)4-5-2-1-3-11-5/h1-4H.
What are the key properties of 2-(2-fluoro-2-nitroethenyl)thiophene?
2-(2-fluoro-2-nitroethenyl)thiophene has a molecular weight of 173.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-nitroethenyl)thiophene is sourced from PubChem (CID 175581016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).