4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde

C10H6F6O3 — CID 122360982

IUPAC4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1
InChIInChI=1S/C10H6F6O3/c11-8(19-10(14,15)16)9(12,13)18-7-3-1-6(5-17)2-4-7/h1-5,8H
InChIKeyUAOCUMSQLIEWLJ-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.30
Rot. Bonds5

About 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde

4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde (PubChem CID 122360982) has the molecular formula C10H6F6O3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde
PubChem CID122360982
Molecular FormulaC10H6F6O3
Molecular Weight288.14 g/mol
Exact Mass288.02
IUPAC Name4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1
InChIInChI=1S/C10H6F6O3/c11-8(19-10(14,15)16)9(12,13)18-7-3-1-6(5-17)2-4-7/h1-5,8H
InChIKeyUAOCUMSQLIEWLJ-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.30
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

4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde
CID 14618892
4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]aniline
CID 15671378
1-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzene
CID 57288381
3-bromo-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 122360990
2,2-dimethyl-5-[[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598585
2-bromo-1-[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]ethanone
CID 122360984
N-methylethanamine;4-(trifluoromethoxy)benzaldehyde
CID 171100197
1,1-dichloro-3-[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]urea
CID 150748942
4-(difluoromethoxy)benzaldehyde
CID 2736986
2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride
CID 91170423
4-[diazenyl-[4-(trifluoromethoxy)phenyl]methyl]benzaldehyde
CID 91338085
4-[(E)-C-[4-(trifluoromethoxy)phenyl]carbonohydrazonoyl]benzaldehyde
CID 87214534

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde?
The IUPAC name of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde (CID 122360982) is 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde?
The canonical SMILES for 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde is O=Cc1ccc(OC(F)(F)C(F)OC(F)(F)F)cc1.
What is the InChIKey of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde?
The InChIKey is UAOCUMSQLIEWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O3/c11-8(19-10(14,15)16)9(12,13)18-7-3-1-6(5-17)2-4-7/h1-5,8H.
What are the key properties of 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde?
4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde has a molecular weight of 288.14 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 122360982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).