1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone

C16H22F2O2 — CID 43800033

IUPAC1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
SMILESCCCCCCC(C)OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2O2/c1-3-4-5-6-7-12(2)20-11-16(19)14-9-8-13(17)10-15(14)18/h8-10,12H,3-7,11H2,1-2H3
InChIKeyDYKHRBDBEOUGGV-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.52
Rot. Bonds9

About 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone

1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone (PubChem CID 43800033) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
PubChem CID43800033
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
SMILESCCCCCCC(C)OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2O2/c1-3-4-5-6-7-12(2)20-11-16(19)14-9-8-13(17)10-15(14)18/h8-10,12H,3-7,11H2,1-2H3
InChIKeyDYKHRBDBEOUGGV-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
dodecan-5-yl 2,4-difluorobenzoate
CID 91717410
tetradecan-5-yl 2,4-difluorobenzoate
CID 91717500
tridecan-3-yl 2,4-difluorobenzoate
CID 91717391
pentadecan-3-yl 2,4-difluorobenzoate
CID 91717375
tetradecan-3-yl 2,4-difluorobenzoate
CID 91717394
dodecan-4-yl 2,4-difluorobenzoate
CID 91717409
1-(2,5-dibromothiophen-3-yl)-2-octan-2-yloxyethanone
CID 43800051
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanone
CID 43800065
1-(3,4-dichlorophenyl)-2-octan-2-yloxyethanone
CID 43800020

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone (CID 43800033) is 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone is CCCCCCC(C)OCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone?
The InChIKey is DYKHRBDBEOUGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-3-4-5-6-7-12(2)20-11-16(19)14-9-8-13(17)10-15(14)18/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone?
1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone has a molecular weight of 284.35 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone is sourced from PubChem (CID 43800033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).