deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde

C26H38F2N2O9 — CID 162003403

IUPACdeuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde
SMILESCCN1C=CN(C)C1.CF.CF.O=C(c1ccc(CO)o1)C(O)c1ccc(CO)o1.O=Cc1ccc(CO)o1.[H][2H]
InChIInChI=1S/C12H12O6.C6H12N2.C6H6O3.2CH3F.H2/c13-5-7-1-3-9(17-7)11(15)12(16)10-4-2-8(6-14)18-10;1-3-8-5-4-7(2)6-8;7-3-5-1-2-6(4-8)9-5;2*1-2;/h1-4,11,13-15H,5-6H2;4-5H,3,6H2,1-2H3;1-3,8H,4H2;2*1H3;1H/i;;;;;1+1
InChIKeyRUHKZWNOCOOBEA-PUQAOBSFSA-N
MW561.60 g/mol
LogP3.46
Rot. Bonds8

About deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde

deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde (PubChem CID 162003403) has the molecular formula C26H38F2N2O9 and a molecular weight of 561.60 g/mol. Its IUPAC name is deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Namedeuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde
PubChem CID162003403
Molecular FormulaC26H38F2N2O9
Molecular Weight561.60 g/mol
Exact Mass561.26
IUPAC Namedeuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde
SMILESCCN1C=CN(C)C1.CF.CF.O=C(c1ccc(CO)o1)C(O)c1ccc(CO)o1.O=Cc1ccc(CO)o1.[H][2H]
InChIInChI=1S/C12H12O6.C6H12N2.C6H6O3.2CH3F.H2/c13-5-7-1-3-9(17-7)11(15)12(16)10-4-2-8(6-14)18-10;1-3-8-5-4-7(2)6-8;7-3-5-1-2-6(4-8)9-5;2*1-2;/h1-4,11,13-15H,5-6H2;4-5H,3,6H2,1-2H3;1-3,8H,4H2;2*1H3;1H/i;;;;;1+1
InChIKeyRUHKZWNOCOOBEA-PUQAOBSFSA-N
XLogP3.46
TPSA160.96 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.60
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde with MolForge

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Related Compounds

2,3-dihydroxy-1-[5-(hydroxymethyl)furan-2-yl]butan-1-one
CID 123406498
(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
fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde;methane;2-methylhexane-1,6-diol;molecular hydrogen
CID 159302687
deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
CID 158565928
formic acid;furan-2-ylmethanol;1-methyl-3-tridecyl-2H-imidazole
CID 175228786
5-propanoylfuran-2-carbaldehyde
CID 84716471
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
CID 175320698
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen
CID 163692906
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
CID 91750740
5-(3-methylbutyl)furan-2-carbaldehyde
CID 82374143

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde?
The IUPAC name of deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde (CID 162003403) is deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde?
The canonical SMILES for deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde is CCN1C=CN(C)C1.CF.CF.O=C(c1ccc(CO)o1)C(O)c1ccc(CO)o1.O=Cc1ccc(CO)o1.[H][2H].
What is the InChIKey of deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde?
The InChIKey is RUHKZWNOCOOBEA-PUQAOBSFSA-N. The full InChI is InChI=1S/C12H12O6.C6H12N2.C6H6O3.2CH3F.H2/c13-5-7-1-3-9(17-7)11(15)12(16)10-4-2-8(6-14)18-10;1-3-8-5-4-7(2)6-8;7-3-5-1-2-6(4-8)9-5;2*1-2;/h1-4,11,13-15H,5-6H2;4-5H,3,6H2,1-2H3;1-3,8H,4H2;2*1H3;1H/i;;;;;1+1.
What are the key properties of deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde?
deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde has a molecular weight of 561.60 g/mol, XLogP of 3.46, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;1-ethyl-3-methyl-2H-imidazole;fluoromethane;2-hydroxy-1,2-bis[5-(hydroxymethyl)furan-2-yl]ethanone;5-(hydroxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 162003403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).