4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde

C12H6F10O3 — CID 14618892

IUPAC4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H6F10O3/c13-8(25-12(21,22)10(16,17)11(18,19)20)9(14,15)24-7-3-1-6(5-23)2-4-7/h1-5,8H
InChIKeyNDNVQZHVTZYTNI-UHFFFAOYSA-N
MW388.16 g/mol
LogP4.57
Rot. Bonds7

About 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde

4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde (PubChem CID 14618892) has the molecular formula C12H6F10O3 and a molecular weight of 388.16 g/mol. Its IUPAC name is 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde
PubChem CID14618892
Molecular FormulaC12H6F10O3
Molecular Weight388.16 g/mol
Exact Mass388.02
IUPAC Name4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H6F10O3/c13-8(25-12(21,22)10(16,17)11(18,19)20)9(14,15)24-7-3-1-6(5-23)2-4-7/h1-5,8H
InChIKeyNDNVQZHVTZYTNI-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde?
The IUPAC name of 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde (CID 14618892) is 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde?
The canonical SMILES for 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde is O=Cc1ccc(OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde?
The InChIKey is NDNVQZHVTZYTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F10O3/c13-8(25-12(21,22)10(16,17)11(18,19)20)9(14,15)24-7-3-1-6(5-23)2-4-7/h1-5,8H.
What are the key properties of 4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde?
4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde has a molecular weight of 388.16 g/mol, XLogP of 4.57, 7 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-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 14618892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).