2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde

C16H13F3O2 — CID 172876941

IUPAC2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
SMILESCc1cc(-c2ccccc2OC(F)(F)F)cc(C)c1C=O
InChIInChI=1S/C16H13F3O2/c1-10-7-12(8-11(2)14(10)9-20)13-5-3-4-6-15(13)21-16(17,18)19/h3-9H,1-2H3
InChIKeyUFQGHLHUDKQKBK-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.68
Rot. Bonds3

About 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde

2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde (PubChem CID 172876941) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
PubChem CID172876941
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
SMILESCc1cc(-c2ccccc2OC(F)(F)F)cc(C)c1C=O
InChIInChI=1S/C16H13F3O2/c1-10-7-12(8-11(2)14(10)9-20)13-5-3-4-6-15(13)21-16(17,18)19/h3-9H,1-2H3
InChIKeyUFQGHLHUDKQKBK-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.68
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

2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993981
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
[3-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 166611069
3-(3,4-dimethylphenyl)-4-(trifluoromethoxy)benzaldehyde
CID 172879620

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde?
The IUPAC name of 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde (CID 172876941) is 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde is Cc1cc(-c2ccccc2OC(F)(F)F)cc(C)c1C=O.
What is the InChIKey of 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde?
The InChIKey is UFQGHLHUDKQKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-10-7-12(8-11(2)14(10)9-20)13-5-3-4-6-15(13)21-16(17,18)19/h3-9H,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde?
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde has a molecular weight of 294.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 172876941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).