2,4-bis(difluoromethoxy)benzaldehyde

C9H6F4O3 — CID 4218025

IUPAC2,4-bis(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)7(3-6)16-9(12)13/h1-4,8-9H
InChIKeyVACUIYCDKQBXCB-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.70
Rot. Bonds5

About 2,4-bis(difluoromethoxy)benzaldehyde

2,4-bis(difluoromethoxy)benzaldehyde (PubChem CID 4218025) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is 2,4-bis(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2,4-bis(difluoromethoxy)benzaldehyde
PubChem CID4218025
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name2,4-bis(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)7(3-6)16-9(12)13/h1-4,8-9H
InChIKeyVACUIYCDKQBXCB-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2-(1-chloro-2-oxopropyl)-4-(difluoromethoxy)benzaldehyde
CID 170837472
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
4-(difluoromethoxy)benzaldehyde
CID 2736986
(3Z)-3-[[2,4-bis(difluoromethoxy)phenyl]methylidene]-1-methylindol-2-one
CID 7972081
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
CID 6903285
4-(difluoromethoxy)-3-formylbenzoic acid
CID 126827729
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
5-amino-2-(difluoromethoxy)benzaldehyde
CID 143711565
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
3-[4-(difluoromethoxy)-2-formylphenyl]propanoic acid
CID 118829937

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethoxy)benzaldehyde?
The IUPAC name of 2,4-bis(difluoromethoxy)benzaldehyde (CID 4218025) is 2,4-bis(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 2,4-bis(difluoromethoxy)benzaldehyde?
The canonical SMILES for 2,4-bis(difluoromethoxy)benzaldehyde is O=Cc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 2,4-bis(difluoromethoxy)benzaldehyde?
The InChIKey is VACUIYCDKQBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)7(3-6)16-9(12)13/h1-4,8-9H.
What are the key properties of 2,4-bis(difluoromethoxy)benzaldehyde?
2,4-bis(difluoromethoxy)benzaldehyde has a molecular weight of 238.14 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 4218025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).