1-(2,4-difluorophenyl)dodecan-1-one

C18H26F2O — CID 65448734

IUPAC1-(2,4-difluorophenyl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H26F2O/c1-2-3-4-5-6-7-8-9-10-11-18(21)16-13-12-15(19)14-17(16)20/h12-14H,2-11H2,1H3
InChIKeyXBOLUDKFEJVGLC-UHFFFAOYSA-N
MW296.40 g/mol
LogP6.07
Rot. Bonds11

About 1-(2,4-difluorophenyl)dodecan-1-one

1-(2,4-difluorophenyl)dodecan-1-one (PubChem CID 65448734) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)dodecan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)dodecan-1-one
PubChem CID65448734
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name1-(2,4-difluorophenyl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H26F2O/c1-2-3-4-5-6-7-8-9-10-11-18(21)16-13-12-15(19)14-17(16)20/h12-14H,2-11H2,1H3
InChIKeyXBOLUDKFEJVGLC-UHFFFAOYSA-N
XLogP6.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
1-(2,4,5-trifluorophenyl)decan-1-one
CID 103301401
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
icosyl 2,4-difluorobenzoate
CID 91723271
1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
CID 43800033

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)dodecan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)dodecan-1-one (CID 65448734) is 1-(2,4-difluorophenyl)dodecan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)dodecan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)dodecan-1-one is CCCCCCCCCCCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)dodecan-1-one?
The InChIKey is XBOLUDKFEJVGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O/c1-2-3-4-5-6-7-8-9-10-11-18(21)16-13-12-15(19)14-17(16)20/h12-14H,2-11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)dodecan-1-one?
1-(2,4-difluorophenyl)dodecan-1-one has a molecular weight of 296.40 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)dodecan-1-one is sourced from PubChem (CID 65448734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).