1-(2,4-difluorophenyl)-2-hexoxyethanone

C14H18F2O2 — CID 43800649

IUPAC1-(2,4-difluorophenyl)-2-hexoxyethanone
SMILESCCCCCCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2O2/c1-2-3-4-5-8-18-10-14(17)12-7-6-11(15)9-13(12)16/h6-7,9H,2-5,8,10H2,1H3
InChIKeyRXYMODXZVXNWJS-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.74
Rot. Bonds8

About 1-(2,4-difluorophenyl)-2-hexoxyethanone

1-(2,4-difluorophenyl)-2-hexoxyethanone (PubChem CID 43800649) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-hexoxyethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-hexoxyethanone
PubChem CID43800649
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-(2,4-difluorophenyl)-2-hexoxyethanone
SMILESCCCCCCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2O2/c1-2-3-4-5-8-18-10-14(17)12-7-6-11(15)9-13(12)16/h6-7,9H,2-5,8,10H2,1H3
InChIKeyRXYMODXZVXNWJS-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.74
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-(3-methoxypropoxy)ethanone
CID 54936394
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(2,4-difluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanone
CID 82789308
icosyl 2,4-difluorobenzoate
CID 91723271
1-(2,4-difluorophenyl)-2-octan-2-yloxyethanone
CID 43800033
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
CID 10822582
1-(2,5-dichlorophenyl)-2-heptoxyethanone
CID 43800122
2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide
CID 70119044
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-hexoxyethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-hexoxyethanone (CID 43800649) is 1-(2,4-difluorophenyl)-2-hexoxyethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-hexoxyethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-hexoxyethanone is CCCCCCOCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-hexoxyethanone?
The InChIKey is RXYMODXZVXNWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-2-3-4-5-8-18-10-14(17)12-7-6-11(15)9-13(12)16/h6-7,9H,2-5,8,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-hexoxyethanone?
1-(2,4-difluorophenyl)-2-hexoxyethanone has a molecular weight of 256.29 g/mol, XLogP of 3.74, 8 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-hexoxyethanone is sourced from PubChem (CID 43800649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).