5-(difluoromethoxy)thiophene-2-carbaldehyde

C6H4F2O2S — CID 175992456

IUPAC5-(difluoromethoxy)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(OC(F)F)s1
InChIInChI=1S/C6H4F2O2S/c7-6(8)10-5-2-1-4(3-9)11-5/h1-3,6H
InChIKeyQGGSMXRCAZQQMH-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.16
Rot. Bonds3

About 5-(difluoromethoxy)thiophene-2-carbaldehyde

5-(difluoromethoxy)thiophene-2-carbaldehyde (PubChem CID 175992456) has the molecular formula C6H4F2O2S and a molecular weight of 178.16 g/mol. Its IUPAC name is 5-(difluoromethoxy)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethoxy)thiophene-2-carbaldehyde
PubChem CID175992456
Molecular FormulaC6H4F2O2S
Molecular Weight178.16 g/mol
Exact Mass177.99
IUPAC Name5-(difluoromethoxy)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(OC(F)F)s1
InChIInChI=1S/C6H4F2O2S/c7-6(8)10-5-2-1-4(3-9)11-5/h1-3,6H
InChIKeyQGGSMXRCAZQQMH-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)thiophene-2-carbaldehyde?
The IUPAC name of 5-(difluoromethoxy)thiophene-2-carbaldehyde (CID 175992456) is 5-(difluoromethoxy)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethoxy)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethoxy)thiophene-2-carbaldehyde is O=Cc1ccc(OC(F)F)s1.
What is the InChIKey of 5-(difluoromethoxy)thiophene-2-carbaldehyde?
The InChIKey is QGGSMXRCAZQQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O2S/c7-6(8)10-5-2-1-4(3-9)11-5/h1-3,6H.
What are the key properties of 5-(difluoromethoxy)thiophene-2-carbaldehyde?
5-(difluoromethoxy)thiophene-2-carbaldehyde has a molecular weight of 178.16 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)thiophene-2-carbaldehyde is sourced from PubChem (CID 175992456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).