4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde

C9H5F5O — CID 139026919

IUPAC4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H5F5O/c10-8(11)5-1-2-6(4-15)7(3-5)9(12,13)14/h1-4,8H
InChIKeyDYNVGSBAAAZZHH-UHFFFAOYSA-N
MW224.13 g/mol
LogP3.46
Rot. Bonds2

About 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde

4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde (PubChem CID 139026919) has the molecular formula C9H5F5O and a molecular weight of 224.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
PubChem CID139026919
Molecular FormulaC9H5F5O
Molecular Weight224.13 g/mol
Exact Mass224.03
IUPAC Name4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H5F5O/c10-8(11)5-1-2-6(4-15)7(3-5)9(12,13)14/h1-4,8H
InChIKeyDYNVGSBAAAZZHH-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 53.46
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-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde (CID 139026919) is 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde?
The InChIKey is DYNVGSBAAAZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O/c10-8(11)5-1-2-6(4-15)7(3-5)9(12,13)14/h1-4,8H.
What are the key properties of 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde?
4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde has a molecular weight of 224.13 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 139026919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).