2-(difluoromethyl)furan-3-carbaldehyde

C6H4F2O2 — CID 99986050

IUPAC2-(difluoromethyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1C(F)F
InChIInChI=1S/C6H4F2O2/c7-6(8)5-4(3-9)1-2-10-5/h1-3,6H
InChIKeyQAEITHWKVZKZJG-UHFFFAOYSA-N
MW146.09 g/mol
LogP2.03
Rot. Bonds2

About 2-(difluoromethyl)furan-3-carbaldehyde

2-(difluoromethyl)furan-3-carbaldehyde (PubChem CID 99986050) has the molecular formula C6H4F2O2 and a molecular weight of 146.09 g/mol. Its IUPAC name is 2-(difluoromethyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)furan-3-carbaldehyde
PubChem CID99986050
Molecular FormulaC6H4F2O2
Molecular Weight146.09 g/mol
Exact Mass146.02
IUPAC Name2-(difluoromethyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1C(F)F
InChIInChI=1S/C6H4F2O2/c7-6(8)5-4(3-9)1-2-10-5/h1-3,6H
InChIKeyQAEITHWKVZKZJG-UHFFFAOYSA-N
XLogP2.03
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.09
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)furan-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)furan-3-carbaldehyde (CID 99986050) is 2-(difluoromethyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)furan-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)furan-3-carbaldehyde is O=Cc1ccoc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)furan-3-carbaldehyde?
The InChIKey is QAEITHWKVZKZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O2/c7-6(8)5-4(3-9)1-2-10-5/h1-3,6H.
What are the key properties of 2-(difluoromethyl)furan-3-carbaldehyde?
2-(difluoromethyl)furan-3-carbaldehyde has a molecular weight of 146.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)furan-3-carbaldehyde is sourced from PubChem (CID 99986050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).