(2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride

C₃₃H₃₈F₂O₁₉ — CID 161419721

About (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride

(2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride (PubChem CID 161419721) has the molecular formula C₃₃H₃₈F₂O₁₉ and a molecular weight of 777.65 g/mol. Its IUPAC name is (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride.

Molecular Properties

• Compound Name: (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride
• PubChem CID: 161419721
• Molecular Formula: C₃₃H₃₈F₂O₁₉
• Molecular Weight: 777.65 g/mol
• Exact Mass: 777.20
• IUPAC Name: (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride
• SMILES: C.C.C.F.O=C(O)c1ccc(C(=O)O)o1.O=C(O)c1ccc(CO)o1.O=Cc1ccc(C(=O)O)o1.O=Cc1ccc(C=O)o1.O=Cc1ccc(CO)o1.[2H]F
• InChI: InChI=1S/C6H4O5.C6H6O4.C6H4O4.C6H6O3.C6H4O3.3CH4.2FH/c7-5(8)3-1-2-4(11-3)6(9)10;2*7-3-4-1-2-5(10-4)6(8)9;2*7-3-5-1-2-6(4-8)9-5;;;;;/h1-2H,(H,7,8)(H,9,10);1-2,7H,3H2,(H,8,9);1-3H,(H,8,9);1-3,8H,4H2;1-4H;3*1H4;2*1H/i/hD
• InChIKey: VWOIVDZJOCNEAP-DYCDLGHISA-N
• XLogP: 5.64
• TPSA: 323.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	777.65
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride?

The IUPAC name of (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride (CID 161419721) is (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride.

What is the SMILES notation for (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride?

The canonical SMILES for (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride is C.C.C.F.O=C(O)c1ccc(C(=O)O)o1.O=C(O)c1ccc(CO)o1.O=Cc1ccc(C(=O)O)o1.O=Cc1ccc(C=O)o1.O=Cc1ccc(CO)o1.[2H]F.

What is the InChIKey of (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride?

The InChIKey is VWOIVDZJOCNEAP-DYCDLGHISA-N. The full InChI is InChI=1S/C6H4O5.C6H6O4.C6H4O4.C6H6O3.C6H4O3.3CH4.2FH/c7-5(8)3-1-2-4(11-3)6(9)10;2*7-3-4-1-2-5(10-4)6(8)9;2*7-3-5-1-2-6(4-8)9-5;;;;;/h1-2H,(H,7,8)(H,9,10);1-2,7H,3H2,(H,8,9);1-3H,(H,8,9);1-3,8H,4H2;1-4H;3*1H4;2*1H/i/hD.

What are the key properties of (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride?

(2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride has a molecular weight of 777.65 g/mol, XLogP of 5.64, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2H)fluorane;5-formylfuran-2-carboxylic acid;furan-2,5-dicarbaldehyde;furan-2,5-dicarboxylic acid;5-(hydroxymethyl)furan-2-carbaldehyde;5-(hydroxymethyl)furan-2-carboxylic acid;methane;hydrofluoride is sourced from PubChem (CID 161419721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161419721 — identifiers, structure, computed properties (public domain)

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