9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal

C17H16F2O — CID 71344417

IUPAC9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
SMILESCC(C=CC=C(C)C=Cc1c(F)cccc1F)=CC=O
InChIInChI=1S/C17H16F2O/c1-13(5-3-6-14(2)11-12-20)9-10-15-16(18)7-4-8-17(15)19/h3-12H,1-2H3
InChIKeyLXJVKONFTUEHRL-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.63
Rot. Bonds5

About 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal

9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal (PubChem CID 71344417) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
PubChem CID71344417
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
SMILESCC(C=CC=C(C)C=Cc1c(F)cccc1F)=CC=O
InChIInChI=1S/C17H16F2O/c1-13(5-3-6-14(2)11-12-20)9-10-15-16(18)7-4-8-17(15)19/h3-12H,1-2H3
InChIKeyLXJVKONFTUEHRL-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal?
The IUPAC name of 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal (CID 71344417) is 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal.
What is the SMILES notation for 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal?
The canonical SMILES for 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal is CC(C=CC=C(C)C=Cc1c(F)cccc1F)=CC=O.
What is the InChIKey of 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal?
The InChIKey is LXJVKONFTUEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-13(5-3-6-14(2)11-12-20)9-10-15-16(18)7-4-8-17(15)19/h3-12H,1-2H3.
What are the key properties of 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal?
9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal has a molecular weight of 274.31 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-difluorophenyl)-3,7-dimethylnona-2,4,6,8-tetraenal is sourced from PubChem (CID 71344417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).