6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal

C14H16F4O2 — CID 86658314

IUPAC6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal
SMILESO=CCCC(F)(F)CCOCC(F)(F)c1ccccc1
InChIInChI=1S/C14H16F4O2/c15-13(16,7-4-9-19)8-10-20-11-14(17,18)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2
InChIKeyGJFUMKKKYQTKCT-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.80
Rot. Bonds9

About 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal

6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal (PubChem CID 86658314) has the molecular formula C14H16F4O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal.

Molecular Properties

Compound Name6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal
PubChem CID86658314
Molecular FormulaC14H16F4O2
Molecular Weight292.27 g/mol
Exact Mass292.11
IUPAC Name6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal
SMILESO=CCCC(F)(F)CCOCC(F)(F)c1ccccc1
InChIInChI=1S/C14H16F4O2/c15-13(16,7-4-9-19)8-10-20-11-14(17,18)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2
InChIKeyGJFUMKKKYQTKCT-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal?
The IUPAC name of 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal (CID 86658314) is 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal.
What is the SMILES notation for 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal?
The canonical SMILES for 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal is O=CCCC(F)(F)CCOCC(F)(F)c1ccccc1.
What is the InChIKey of 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal?
The InChIKey is GJFUMKKKYQTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O2/c15-13(16,7-4-9-19)8-10-20-11-14(17,18)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10-11H2.
What are the key properties of 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal?
6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal has a molecular weight of 292.27 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoro-2-phenylethoxy)-4,4-difluorohexanal is sourced from PubChem (CID 86658314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).