2,4-bis(trifluoromethyl)benzaldehyde

C9H4F6O — CID 2736095

IUPAC2,4-bis(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H4F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-4H
InChIKeyDLRCWXOCZIUZBS-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.54
Rot. Bonds1

About 2,4-bis(trifluoromethyl)benzaldehyde

2,4-bis(trifluoromethyl)benzaldehyde (PubChem CID 2736095) has the molecular formula C9H4F6O and a molecular weight of 242.12 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)benzaldehyde
PubChem CID2736095
Molecular FormulaC9H4F6O
Molecular Weight242.12 g/mol
Exact Mass242.02
IUPAC Name2,4-bis(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H4F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-4H
InChIKeyDLRCWXOCZIUZBS-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.54
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 2,4-bis(trifluoromethyl)benzaldehyde?
The IUPAC name of 2,4-bis(trifluoromethyl)benzaldehyde (CID 2736095) is 2,4-bis(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2,4-bis(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2,4-bis(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2,4-bis(trifluoromethyl)benzaldehyde?
The InChIKey is DLRCWXOCZIUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6O/c10-8(11,12)6-2-1-5(4-16)7(3-6)9(13,14)15/h1-4H.
What are the key properties of 2,4-bis(trifluoromethyl)benzaldehyde?
2,4-bis(trifluoromethyl)benzaldehyde has a molecular weight of 242.12 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 2736095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).