2-(1,1-difluoroethyl)-5-nitrofuran

C6H5F2NO3 — CID 119098179

IUPAC2-(1,1-difluoroethyl)-5-nitrofuran
SMILESCC(F)(F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H5F2NO3/c1-6(7,8)4-2-3-5(12-4)9(10)11/h2-3H,1H3
InChIKeyBYUIXNKJAKIBNJ-UHFFFAOYSA-N
MW177.11 g/mol
LogP2.30
Rot. Bonds2

About 2-(1,1-difluoroethyl)-5-nitrofuran

2-(1,1-difluoroethyl)-5-nitrofuran (PubChem CID 119098179) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-nitrofuran
PubChem CID119098179
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name2-(1,1-difluoroethyl)-5-nitrofuran
SMILESCC(F)(F)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H5F2NO3/c1-6(7,8)4-2-3-5(12-4)9(10)11/h2-3H,1H3
InChIKeyBYUIXNKJAKIBNJ-UHFFFAOYSA-N
XLogP2.30
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-nitrofuran?
The IUPAC name of 2-(1,1-difluoroethyl)-5-nitrofuran (CID 119098179) is 2-(1,1-difluoroethyl)-5-nitrofuran.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-nitrofuran?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-nitrofuran is CC(F)(F)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-nitrofuran?
The InChIKey is BYUIXNKJAKIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c1-6(7,8)4-2-3-5(12-4)9(10)11/h2-3H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-nitrofuran?
2-(1,1-difluoroethyl)-5-nitrofuran has a molecular weight of 177.11 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-nitrofuran is sourced from PubChem (CID 119098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).