3-[difluoro(methoxy)methyl]benzaldehyde

C9H8F2O2 — CID 142286627

IUPAC3-[difluoro(methoxy)methyl]benzaldehyde
SMILESCOC(F)(F)c1cccc(C=O)c1
InChIInChI=1S/C9H8F2O2/c1-13-9(10,11)8-4-2-3-7(5-8)6-12/h2-6H,1H3
InChIKeyZODPXYYGVQGIJC-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.19
Rot. Bonds3

About 3-[difluoro(methoxy)methyl]benzaldehyde

3-[difluoro(methoxy)methyl]benzaldehyde (PubChem CID 142286627) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 3-[difluoro(methoxy)methyl]benzaldehyde.

Molecular Properties

Compound Name3-[difluoro(methoxy)methyl]benzaldehyde
PubChem CID142286627
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name3-[difluoro(methoxy)methyl]benzaldehyde
SMILESCOC(F)(F)c1cccc(C=O)c1
InChIInChI=1S/C9H8F2O2/c1-13-9(10,11)8-4-2-3-7(5-8)6-12/h2-6H,1H3
InChIKeyZODPXYYGVQGIJC-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.19
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 3-[difluoro(methoxy)methyl]benzaldehyde?
The IUPAC name of 3-[difluoro(methoxy)methyl]benzaldehyde (CID 142286627) is 3-[difluoro(methoxy)methyl]benzaldehyde.
What is the SMILES notation for 3-[difluoro(methoxy)methyl]benzaldehyde?
The canonical SMILES for 3-[difluoro(methoxy)methyl]benzaldehyde is COC(F)(F)c1cccc(C=O)c1.
What is the InChIKey of 3-[difluoro(methoxy)methyl]benzaldehyde?
The InChIKey is ZODPXYYGVQGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-13-9(10,11)8-4-2-3-7(5-8)6-12/h2-6H,1H3.
What are the key properties of 3-[difluoro(methoxy)methyl]benzaldehyde?
3-[difluoro(methoxy)methyl]benzaldehyde has a molecular weight of 186.16 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(methoxy)methyl]benzaldehyde is sourced from PubChem (CID 142286627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).