11-(3,4-difluorophenyl)undecanal

C17H24F2O — CID 123357909

IUPAC11-(3,4-difluorophenyl)undecanal
SMILESO=CCCCCCCCCCCc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2O/c18-16-12-11-15(14-17(16)19)10-8-6-4-2-1-3-5-7-9-13-20/h11-14H,1-10H2
InChIKeyOCDGBUATCJVVRV-UHFFFAOYSA-N
MW282.37 g/mol
LogP5.22
Rot. Bonds11

About 11-(3,4-difluorophenyl)undecanal

11-(3,4-difluorophenyl)undecanal (PubChem CID 123357909) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 11-(3,4-difluorophenyl)undecanal.

Molecular Properties

Compound Name11-(3,4-difluorophenyl)undecanal
PubChem CID123357909
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name11-(3,4-difluorophenyl)undecanal
SMILESO=CCCCCCCCCCCc1ccc(F)c(F)c1
InChIInChI=1S/C17H24F2O/c18-16-12-11-15(14-17(16)19)10-8-6-4-2-1-3-5-7-9-13-20/h11-14H,1-10H2
InChIKeyOCDGBUATCJVVRV-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluorophenyl)pentanal
CID 82255703
5-(4-fluoro-3-methoxyphenyl)pentanal
CID 147282830
5-[4-(4-oxobutyl)phenyl]pentanal
CID 86059297
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682
6-(2,6-difluorophenyl)hexanal
CID 87065996
3-(3-fluoro-4-sulfanylphenyl)propanal
CID 130955685
1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
CID 54556893
1,2-difluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798792
1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
CID 54186156
5-(3,4-difluorophenyl)pentanehydrazide
CID 116843725
5-(4-methylsulfanylphenyl)pentanal
CID 98014049
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
CID 116846626

Frequently Asked Questions

What is the IUPAC name of 11-(3,4-difluorophenyl)undecanal?
The IUPAC name of 11-(3,4-difluorophenyl)undecanal (CID 123357909) is 11-(3,4-difluorophenyl)undecanal.
What is the SMILES notation for 11-(3,4-difluorophenyl)undecanal?
The canonical SMILES for 11-(3,4-difluorophenyl)undecanal is O=CCCCCCCCCCCc1ccc(F)c(F)c1.
What is the InChIKey of 11-(3,4-difluorophenyl)undecanal?
The InChIKey is OCDGBUATCJVVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c18-16-12-11-15(14-17(16)19)10-8-6-4-2-1-3-5-7-9-13-20/h11-14H,1-10H2.
What are the key properties of 11-(3,4-difluorophenyl)undecanal?
11-(3,4-difluorophenyl)undecanal has a molecular weight of 282.37 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4-difluorophenyl)undecanal is sourced from PubChem (CID 123357909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).