1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone

C10H10F2O3 — CID 10822582

IUPAC1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
SMILESCOCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c1-14-6-15-5-10(13)8-3-2-7(11)4-9(8)12/h2-4H,5-6H2,1H3
InChIKeyHNYQTSAHUVVCFG-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.77
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone

1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone (PubChem CID 10822582) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
PubChem CID10822582
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone
SMILESCOCOCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O3/c1-14-6-15-5-10(13)8-3-2-7(11)4-9(8)12/h2-4H,5-6H2,1H3
InChIKeyHNYQTSAHUVVCFG-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
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-(3-methylbutoxy)ethanone
CID 43798523
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
1-(2,4-difluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanone
CID 82789308
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 17448025
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone (CID 10822582) is 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone is COCOCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone?
The InChIKey is HNYQTSAHUVVCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-6-15-5-10(13)8-3-2-7(11)4-9(8)12/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone?
1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone has a molecular weight of 216.18 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(methoxymethoxy)ethanone is sourced from PubChem (CID 10822582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).