4-(difluoromethoxy)benzaldehyde

C8H6F2O2 — CID 2736986

IUPAC4-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKeyZWCXOJYJJINQGU-UHFFFAOYSA-N
MW172.13 g/mol
LogP2.10
Rot. Bonds3

About 4-(difluoromethoxy)benzaldehyde

4-(difluoromethoxy)benzaldehyde (PubChem CID 2736986) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 4-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)benzaldehyde
PubChem CID2736986
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name4-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChIKeyZWCXOJYJJINQGU-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
1-(difluoromethoxy)-4-iodobenzene;(4-formylphenyl)boronic acid
CID 87903244
2-[[4-(difluoromethoxy)phenyl]methylidene]-3-methylbutanal
CID 79335302
4-[2-(difluoromethoxy)ethoxy]benzaldehyde
CID 118384245
4-[1-(4-formylphenoxy)butoxy]benzaldehyde
CID 87311039
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
3-[4-(difluoromethoxy)phenyl]prop-2-en-1-ol
CID 79335695
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;4-(difluoromethoxy)benzaldehyde
CID 143287620
(Z)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415389
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858839
5-[4-(difluoromethoxy)phenyl]-1H-pyrrole-2-carbaldehyde
CID 165490290

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)benzaldehyde?
The IUPAC name of 4-(difluoromethoxy)benzaldehyde (CID 2736986) is 4-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 4-(difluoromethoxy)benzaldehyde is O=Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)benzaldehyde?
The InChIKey is ZWCXOJYJJINQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H.
What are the key properties of 4-(difluoromethoxy)benzaldehyde?
4-(difluoromethoxy)benzaldehyde has a molecular weight of 172.13 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 2736986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).