2-nitro-5-(trifluoromethyl)furan

C5H2F3NO3 — CID 23262603

IUPAC2-nitro-5-(trifluoromethyl)furan
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H2F3NO3/c6-5(7,8)3-1-2-4(12-3)9(10)11/h1-2H
InChIKeyKBVPUCUGOQHOGI-UHFFFAOYSA-N
MW181.07 g/mol
LogP2.21
Rot. Bonds1

About 2-nitro-5-(trifluoromethyl)furan

2-nitro-5-(trifluoromethyl)furan (PubChem CID 23262603) has the molecular formula C5H2F3NO3 and a molecular weight of 181.07 g/mol. Its IUPAC name is 2-nitro-5-(trifluoromethyl)furan.

Molecular Properties

Compound Name2-nitro-5-(trifluoromethyl)furan
PubChem CID23262603
Molecular FormulaC5H2F3NO3
Molecular Weight181.07 g/mol
Exact Mass181.00
IUPAC Name2-nitro-5-(trifluoromethyl)furan
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)o1
InChIInChI=1S/C5H2F3NO3/c6-5(7,8)3-1-2-4(12-3)9(10)11/h1-2H
InChIKeyKBVPUCUGOQHOGI-UHFFFAOYSA-N
XLogP2.21
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 52.21
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-nitro-5-(trifluoromethyl)furan?
The IUPAC name of 2-nitro-5-(trifluoromethyl)furan (CID 23262603) is 2-nitro-5-(trifluoromethyl)furan.
What is the SMILES notation for 2-nitro-5-(trifluoromethyl)furan?
The canonical SMILES for 2-nitro-5-(trifluoromethyl)furan is O=[N+]([O-])c1ccc(C(F)(F)F)o1.
What is the InChIKey of 2-nitro-5-(trifluoromethyl)furan?
The InChIKey is KBVPUCUGOQHOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO3/c6-5(7,8)3-1-2-4(12-3)9(10)11/h1-2H.
What are the key properties of 2-nitro-5-(trifluoromethyl)furan?
2-nitro-5-(trifluoromethyl)furan has a molecular weight of 181.07 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-(trifluoromethyl)furan is sourced from PubChem (CID 23262603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).