2,2-difluoroethenoxymethylbenzene

C9H8F2O — CID 53483110

IUPAC2,2-difluoroethenoxymethylbenzene
SMILESFC(F)=COCc1ccccc1
InChIInChI=1S/C9H8F2O/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyMTJZTMZOKIIDNV-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.94
Rot. Bonds3

About 2,2-difluoroethenoxymethylbenzene

2,2-difluoroethenoxymethylbenzene (PubChem CID 53483110) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,2-difluoroethenoxymethylbenzene.

Molecular Properties

Compound Name2,2-difluoroethenoxymethylbenzene
PubChem CID53483110
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2,2-difluoroethenoxymethylbenzene
SMILESFC(F)=COCc1ccccc1
InChIInChI=1S/C9H8F2O/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyMTJZTMZOKIIDNV-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
CID 134937265
ethenoxymethylbenzene
CID 11116115
benzyl N-hydroxymethanimidate
CID 134694398
trimethyl-[(E)-2-phenylmethoxy-1-trimethylsilylethenoxy]silane
CID 14938849
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
ethane;ethenoxymethylbenzene
CID 144676673
phenyl 2-methyl-N-phenyl-3-phenylmethoxyprop-2-enimidate
CID 67544900
phenylmethoxy-λ2-plumbane
CID 173082625
phenylmethoxygallane
CID 173378988
trimethyl-[(1E,3Z)-2-methyl-1-phenylmethoxypenta-1,3-dien-3-yl]oxysilane
CID 10934722
phenylmethoxymethylidenephosphane
CID 142882655
benzyl methanimidate
CID 10176165

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethenoxymethylbenzene?
The IUPAC name of 2,2-difluoroethenoxymethylbenzene (CID 53483110) is 2,2-difluoroethenoxymethylbenzene.
What is the SMILES notation for 2,2-difluoroethenoxymethylbenzene?
The canonical SMILES for 2,2-difluoroethenoxymethylbenzene is FC(F)=COCc1ccccc1.
What is the InChIKey of 2,2-difluoroethenoxymethylbenzene?
The InChIKey is MTJZTMZOKIIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2,2-difluoroethenoxymethylbenzene?
2,2-difluoroethenoxymethylbenzene has a molecular weight of 170.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethenoxymethylbenzene is sourced from PubChem (CID 53483110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).