(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

IUPAC(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
SMILESC.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
InChIInChI=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
InChIKeyVWOIVDZJOCNEAP-DYCDLGHISA-N
MW777.65 g/mol
LogP5.64
Rot. Bonds10

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 CID161419721
Molecular FormulaC33H38F2O19
Molecular Weight777.65 g/mol
Exact Mass777.20
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
SMILESC.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
InChIInChI=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
InChIKeyVWOIVDZJOCNEAP-DYCDLGHISA-N
XLogP5.64
TPSA323.64 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500777.65
LogP ≤ 55.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
CID 158565928
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-propanoylfuran-2-carbaldehyde
CID 84716471
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
CID 91750740
5-formylfuran-2-carboxylate
CID 7020643
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-(cyclopentanecarbonyl)furan-2-carbaldehyde
CID 84719862
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen
CID 159302687
(Z)-4-[(5-formylfuran-2-yl)methoxy]-4-oxobut-2-enoic acid;furan-2,5-dione;5-(hydroxymethyl)furan-2-carbaldehyde
CID 161222476

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).