4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde

C15H11F3O2 — CID 138857774

IUPAC4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)10-20-14-3-1-2-13(8-14)12-6-4-11(9-19)5-7-12/h1-9H,10H2
InChIKeyZXJRROYRWMHYQK-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.11
Rot. Bonds4

About 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde

4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde (PubChem CID 138857774) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde
PubChem CID138857774
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)10-20-14-3-1-2-13(8-14)12-6-4-11(9-19)5-7-12/h1-9H,10H2
InChIKeyZXJRROYRWMHYQK-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.11
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

[3-(4-formylphenyl)phenyl] acetate
CID 86180211
N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
CID 168653348
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
4-[2,2,3,3,4,4-hexafluoro-5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 19038420
3-(furan-3-yl)-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 172652381
1-methyl-6-[3-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)quinoxalin-2-one
CID 87527205
2-fluoro-5-(2,2,2-trifluoroethoxy)benzaldehyde
CID 155798145
6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridazin-3-amine
CID 178065217
4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxybenzaldehyde
CID 150215382
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde (CID 138857774) is 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde is O=Cc1ccc(-c2cccc(OCC(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde?
The InChIKey is ZXJRROYRWMHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)10-20-14-3-1-2-13(8-14)12-6-4-11(9-19)5-7-12/h1-9H,10H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde?
4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 138857774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).