2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone

C10H10F2O3 — CID 171367812

IUPAC2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1ccccc1C(=O)C(F)F
InChIInChI=1S/C10H10F2O3/c1-14-6-15-8-5-3-2-4-7(8)9(13)10(11)12/h2-5,10H,6H2,1H3
InChIKeyROJDUCYOLCKSSX-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.12
Rot. Bonds5

About 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone

2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone (PubChem CID 171367812) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
PubChem CID171367812
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1ccccc1C(=O)C(F)F
InChIInChI=1S/C10H10F2O3/c1-14-6-15-8-5-3-2-4-7(8)9(13)10(11)12/h2-5,10H,6H2,1H3
InChIKeyROJDUCYOLCKSSX-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanone
CID 19812692
2,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione
CID 87600233
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
tris[2-(methoxymethoxy)phenyl]bismuthane
CID 10579730
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-[(E)-2-bromo-1-phenylethenyl]-2-(methoxymethoxy)benzene
CID 146189075
1-[2-(2-methoxyethoxy)phenyl]-2-methyl-3-methylsulfanylpropan-1-one
CID 114221891
[2-(methoxymethoxy)phenyl]methanol
CID 10920904

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone (CID 171367812) is 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone is COCOc1ccccc1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone?
The InChIKey is ROJDUCYOLCKSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-14-6-15-8-5-3-2-4-7(8)9(13)10(11)12/h2-5,10H,6H2,1H3.
What are the key properties of 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone?
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone has a molecular weight of 216.18 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 171367812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).