2,4-difluoro-6-(trifluoromethyl)benzaldehyde

C8H3F5O — CID 19995596

IUPAC2,4-difluoro-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(F)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H3F5O/c9-4-1-6(8(11,12)13)5(3-14)7(10)2-4/h1-3H
InChIKeyOVRVUXNSVZYTAS-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.80
Rot. Bonds1

About 2,4-difluoro-6-(trifluoromethyl)benzaldehyde

2,4-difluoro-6-(trifluoromethyl)benzaldehyde (PubChem CID 19995596) has the molecular formula C8H3F5O and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,4-difluoro-6-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-6-(trifluoromethyl)benzaldehyde
PubChem CID19995596
Molecular FormulaC8H3F5O
Molecular Weight210.10 g/mol
Exact Mass210.01
IUPAC Name2,4-difluoro-6-(trifluoromethyl)benzaldehyde
SMILESO=Cc1c(F)cc(F)cc1C(F)(F)F
InChIInChI=1S/C8H3F5O/c9-4-1-6(8(11,12)13)5(3-14)7(10)2-4/h1-3H
InChIKeyOVRVUXNSVZYTAS-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.80
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-difluoro-6-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2,4-difluoro-6-(trifluoromethyl)benzaldehyde (CID 19995596) is 2,4-difluoro-6-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2,4-difluoro-6-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2,4-difluoro-6-(trifluoromethyl)benzaldehyde is O=Cc1c(F)cc(F)cc1C(F)(F)F.
What is the InChIKey of 2,4-difluoro-6-(trifluoromethyl)benzaldehyde?
The InChIKey is OVRVUXNSVZYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5O/c9-4-1-6(8(11,12)13)5(3-14)7(10)2-4/h1-3H.
What are the key properties of 2,4-difluoro-6-(trifluoromethyl)benzaldehyde?
2,4-difluoro-6-(trifluoromethyl)benzaldehyde has a molecular weight of 210.10 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 19995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).