4-[4-(difluoromethyl)phenyl]benzaldehyde

C14H10F2O — CID 146027072

IUPAC4-[4-(difluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C14H10F2O/c15-14(16)13-7-5-12(6-8-13)11-3-1-10(9-17)2-4-11/h1-9,14H
InChIKeyZQSUYMBXCOKPOI-UHFFFAOYSA-N
MW232.23 g/mol
LogP4.10
Rot. Bonds3

About 4-[4-(difluoromethyl)phenyl]benzaldehyde

4-[4-(difluoromethyl)phenyl]benzaldehyde (PubChem CID 146027072) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(difluoromethyl)phenyl]benzaldehyde
PubChem CID146027072
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name4-[4-(difluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C14H10F2O/c15-14(16)13-7-5-12(6-8-13)11-3-1-10(9-17)2-4-11/h1-9,14H
InChIKeyZQSUYMBXCOKPOI-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(difluoromethyl)phenyl]benzaldehyde (CID 146027072) is 4-[4-(difluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(difluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(difluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)phenyl]benzaldehyde?
The InChIKey is ZQSUYMBXCOKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c15-14(16)13-7-5-12(6-8-13)11-3-1-10(9-17)2-4-11/h1-9,14H.
What are the key properties of 4-[4-(difluoromethyl)phenyl]benzaldehyde?
4-[4-(difluoromethyl)phenyl]benzaldehyde has a molecular weight of 232.23 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 146027072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).