deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde

C14H20F2O4 — CID 158565928

IUPACdeuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
SMILESCF.Cc1ccc(C)o1.O=Cc1ccc(CO)o1.[2H]CF
InChIInChI=1S/C6H6O3.C6H8O.2CH3F/c7-3-5-1-2-6(4-8)9-5;1-5-3-4-6(2)7-5;2*1-2/h1-3,8H,4H2;3-4H,1-2H3;2*1H3/i;;1D;
InChIKeyHRLYHEUGJJSUIL-XZVVQQHRSA-N
MW291.31 g/mol
LogP3.65
Rot. Bonds2

About deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde

deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde (PubChem CID 158565928) has the molecular formula C14H20F2O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Namedeuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
PubChem CID158565928
Molecular FormulaC14H20F2O4
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Namedeuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
SMILESCF.Cc1ccc(C)o1.O=Cc1ccc(CO)o1.[2H]CF
InChIInChI=1S/C6H6O3.C6H8O.2CH3F/c7-3-5-1-2-6(4-8)9-5;1-5-3-4-6(2)7-5;2*1-2/h1-3,8H,4H2;3-4H,1-2H3;2*1H3/i;;1D;
InChIKeyHRLYHEUGJJSUIL-XZVVQQHRSA-N
XLogP3.65
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde?
The IUPAC name of deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde (CID 158565928) is deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde?
The canonical SMILES for deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde is CF.Cc1ccc(C)o1.O=Cc1ccc(CO)o1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde?
The InChIKey is HRLYHEUGJJSUIL-XZVVQQHRSA-N. The full InChI is InChI=1S/C6H6O3.C6H8O.2CH3F/c7-3-5-1-2-6(4-8)9-5;1-5-3-4-6(2)7-5;2*1-2/h1-3,8H,4H2;3-4H,1-2H3;2*1H3/i;;1D;.
What are the key properties of deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde?
deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde has a molecular weight of 291.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 158565928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).