5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde

C22H14F6O3 — CID 58007781

IUPAC5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14F6O3/c23-21(24,25)18-3-1-2-14(10-18)13-30-20-9-6-16(11-17(20)12-29)15-4-7-19(8-5-15)31-22(26,27)28/h1-12H,13H2
InChIKeyZMCUALSBKSCPKE-UHFFFAOYSA-N
MW440.34 g/mol
LogP6.66
Rot. Bonds6

About 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde

5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde (PubChem CID 58007781) has the molecular formula C22H14F6O3 and a molecular weight of 440.34 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
PubChem CID58007781
Molecular FormulaC22H14F6O3
Molecular Weight440.34 g/mol
Exact Mass440.08
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14F6O3/c23-21(24,25)18-3-1-2-14(10-18)13-30-20-9-6-16(11-17(20)12-29)15-4-7-19(8-5-15)31-22(26,27)28/h1-12H,13H2
InChIKeyZMCUALSBKSCPKE-UHFFFAOYSA-N
XLogP6.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007960
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
3-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 115955486
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
CID 78929099
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 161167132
tert-butyl 4-(3-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183614

Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde (CID 58007781) is 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde is O=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is ZMCUALSBKSCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6O3/c23-21(24,25)18-3-1-2-14(10-18)13-30-20-9-6-16(11-17(20)12-29)15-4-7-19(8-5-15)31-22(26,27)28/h1-12H,13H2.
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 440.34 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 58007781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).