4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde

C15H8F6O2 — CID 134627713

IUPAC4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H8F6O2/c16-14(17,18)13-7-10(1-2-11(13)8-22)9-3-5-12(6-4-9)23-15(19,20)21/h1-8H
InChIKeyPJPKAMMTFZMIQJ-UHFFFAOYSA-N
MW334.22 g/mol
LogP5.08
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde

4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde (PubChem CID 134627713) has the molecular formula C15H8F6O2 and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
PubChem CID134627713
Molecular FormulaC15H8F6O2
Molecular Weight334.22 g/mol
Exact Mass334.04
IUPAC Name4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H8F6O2/c16-14(17,18)13-7-10(1-2-11(13)8-22)9-3-5-12(6-4-9)23-15(19,20)21/h1-8H
InChIKeyPJPKAMMTFZMIQJ-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.08
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

2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
2-(4-propan-2-ylphenyl)sulfanyl-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007995
2-fluoro-4-[4-(trifluoromethoxy)phenoxy]benzaldehyde
CID 58007717
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
4-(difluoromethyl)-2-(trifluoromethyl)benzaldehyde
CID 139026919
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 58007781
2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408359

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde (CID 134627713) is 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde is O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde?
The InChIKey is PJPKAMMTFZMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6O2/c16-14(17,18)13-7-10(1-2-11(13)8-22)9-3-5-12(6-4-9)23-15(19,20)21/h1-8H.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde?
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde has a molecular weight of 334.22 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 134627713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).