2-(difluoromethyl)-5-nitrofuran

C5H3F2NO3 — CID 119096210

IUPAC2-(difluoromethyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(F)F)o1
InChIInChI=1S/C5H3F2NO3/c6-5(7)3-1-2-4(11-3)8(9)10/h1-2,5H
InChIKeyZZABMEQVMZDLLV-UHFFFAOYSA-N
MW163.08 g/mol
LogP2.13
Rot. Bonds2

About 2-(difluoromethyl)-5-nitrofuran

2-(difluoromethyl)-5-nitrofuran (PubChem CID 119096210) has the molecular formula C5H3F2NO3 and a molecular weight of 163.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitrofuran
PubChem CID119096210
Molecular FormulaC5H3F2NO3
Molecular Weight163.08 g/mol
Exact Mass163.01
IUPAC Name2-(difluoromethyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(F)F)o1
InChIInChI=1S/C5H3F2NO3/c6-5(7)3-1-2-4(11-3)8(9)10/h1-2,5H
InChIKeyZZABMEQVMZDLLV-UHFFFAOYSA-N
XLogP2.13
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.08
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

Nifuroxime
CID 5373493
5-Nitrofurfural
CID 12774
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furaldoxime
CID 6478035
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
5-Nitrofuryl-2-acrolein
CID 5462962
2-(Methoxymethyl)-5-nitrofuran
CID 11469
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
2-Acetyl-5-nitrofuran
CID 21348
5-Nitro-2-furonitrile
CID 94881
2-Furancarboxaldehyde, 5-nitro-, hydrazone (9CI)
CID 9561450
5-Nitro-2-furaldehyde oxime
CID 22601

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitrofuran?
The IUPAC name of 2-(difluoromethyl)-5-nitrofuran (CID 119096210) is 2-(difluoromethyl)-5-nitrofuran.
What is the SMILES notation for 2-(difluoromethyl)-5-nitrofuran?
The canonical SMILES for 2-(difluoromethyl)-5-nitrofuran is O=[N+]([O-])c1ccc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-nitrofuran?
The InChIKey is ZZABMEQVMZDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO3/c6-5(7)3-1-2-4(11-3)8(9)10/h1-2,5H.
What are the key properties of 2-(difluoromethyl)-5-nitrofuran?
2-(difluoromethyl)-5-nitrofuran has a molecular weight of 163.08 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-(difluoromethyl)-5-nitrofuran is sourced from PubChem (CID 119096210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).