4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde

C10H6F4O2 — CID 171008432

IUPAC4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
SMILESCC(=O)c1cc(F)c(C=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F4O2/c1-5(16)6-2-8(10(12,13)14)7(4-15)9(11)3-6/h2-4H,1H3
InChIKeyAUBICQHVQFTOAZ-UHFFFAOYSA-N
MW234.15 g/mol
LogP2.86
Rot. Bonds2

About 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde

4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde (PubChem CID 171008432) has the molecular formula C10H6F4O2 and a molecular weight of 234.15 g/mol. Its IUPAC name is 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
PubChem CID171008432
Molecular FormulaC10H6F4O2
Molecular Weight234.15 g/mol
Exact Mass234.03
IUPAC Name4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
SMILESCC(=O)c1cc(F)c(C=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F4O2/c1-5(16)6-2-8(10(12,13)14)7(4-15)9(11)3-6/h2-4H,1H3
InChIKeyAUBICQHVQFTOAZ-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-iodo-5-(trifluoromethyl)phenyl]ethanone
CID 171022050
2,4-difluoro-6-(trifluoromethyl)benzaldehyde
CID 19995596
4-bromo-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 131354810
4-ethyl-2-fluoro-6-(trifluoromethyl)benzaldehyde
CID 88578381
3,5-difluoro-4-formylbenzoic acid
CID 45073629
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 170996803
1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584
2-acetyl-5-fluoro-3-(trifluoromethyl)benzaldehyde
CID 171008550
2,3,6-trifluoro-5-(trifluoromethyl)benzaldehyde
CID 19995606
3-acetyl-6-fluoro-2-(trifluoromethyl)benzaldehyde
CID 171008591

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde (CID 171008432) is 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde is CC(=O)c1cc(F)c(C=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde?
The InChIKey is AUBICQHVQFTOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O2/c1-5(16)6-2-8(10(12,13)14)7(4-15)9(11)3-6/h2-4H,1H3.
What are the key properties of 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde?
4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde has a molecular weight of 234.15 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-fluoro-6-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 171008432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).