2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone

C14H18F2O3 — CID 43800204

IUPAC2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
SMILESCCCCOCCOCC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H18F2O3/c1-2-3-7-18-8-9-19-10-13(17)14-11(15)5-4-6-12(14)16/h4-6H,2-3,7-10H2,1H3
InChIKeyJNHGLVJIZAHDOG-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.98
Rot. Bonds9

About 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone

2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone (PubChem CID 43800204) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
PubChem CID43800204
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
SMILESCCCCOCCOCC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H18F2O3/c1-2-3-7-18-8-9-19-10-13(17)14-11(15)5-4-6-12(14)16/h4-6H,2-3,7-10H2,1H3
InChIKeyJNHGLVJIZAHDOG-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-2-pent-4-enoxyethanone
CID 79114859
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927411
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
1-(2,6-difluorophenyl)-2-pentan-2-yloxyethanone
CID 102982848
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone?
The IUPAC name of 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone (CID 43800204) is 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone is CCCCOCCOCC(=O)c1c(F)cccc1F.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone?
The InChIKey is JNHGLVJIZAHDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-2-3-7-18-8-9-19-10-13(17)14-11(15)5-4-6-12(14)16/h4-6H,2-3,7-10H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone?
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone has a molecular weight of 272.29 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 43800204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).