3-(difluoromethyl)benzaldehyde

C8H6F2O — CID 56776447

IUPAC3-(difluoromethyl)benzaldehyde
SMILESO=Cc1cccc(C(F)F)c1
InChIInChI=1S/C8H6F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5,8H
InChIKeyVWWBACHLEZWOEK-UHFFFAOYSA-N
MW156.13 g/mol
LogP2.44
Rot. Bonds2

About 3-(difluoromethyl)benzaldehyde

3-(difluoromethyl)benzaldehyde (PubChem CID 56776447) has the molecular formula C8H6F2O and a molecular weight of 156.13 g/mol. Its IUPAC name is 3-(difluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)benzaldehyde
PubChem CID56776447
Molecular FormulaC8H6F2O
Molecular Weight156.13 g/mol
Exact Mass156.04
IUPAC Name3-(difluoromethyl)benzaldehyde
SMILESO=Cc1cccc(C(F)F)c1
InChIInChI=1S/C8H6F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5,8H
InChIKeyVWWBACHLEZWOEK-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)benzaldehyde?
The IUPAC name of 3-(difluoromethyl)benzaldehyde (CID 56776447) is 3-(difluoromethyl)benzaldehyde.
What is the SMILES notation for 3-(difluoromethyl)benzaldehyde?
The canonical SMILES for 3-(difluoromethyl)benzaldehyde is O=Cc1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)benzaldehyde?
The InChIKey is VWWBACHLEZWOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5,8H.
What are the key properties of 3-(difluoromethyl)benzaldehyde?
3-(difluoromethyl)benzaldehyde has a molecular weight of 156.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)benzaldehyde is sourced from PubChem (CID 56776447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).