1-[difluoro(methylperoxy)methyl]-2-fluorobenzene

C8H7F3O2 — CID 161069405

IUPAC1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
SMILESCOOC(F)(F)c1ccccc1F
InChIInChI=1S/C8H7F3O2/c1-12-13-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKeyUELNNEKIUHBTMZ-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.45
Rot. Bonds3

About 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene

1-[difluoro(methylperoxy)methyl]-2-fluorobenzene (PubChem CID 161069405) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
PubChem CID161069405
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
SMILESCOOC(F)(F)c1ccccc1F
InChIInChI=1S/C8H7F3O2/c1-12-13-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKeyUELNNEKIUHBTMZ-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
3,3,3-trifluoro-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 84736635
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
CID 172725076
ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
CID 142299997
4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 175020161
5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 134474831
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
2-fluoro-2-(2-fluorophenyl)propanal
CID 105434360
CID 69226515
CID 69226515
3-[difluoro-(2-fluorophenyl)methoxy]aniline
CID 175208766
methyl 2-amino-3,3-difluoro-3-(2-fluorophenyl)propanoate
CID 105492147

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene?
The IUPAC name of 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene (CID 161069405) is 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene?
The canonical SMILES for 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene is COOC(F)(F)c1ccccc1F.
What is the InChIKey of 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene?
The InChIKey is UELNNEKIUHBTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-12-13-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3.
What are the key properties of 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene?
1-[difluoro(methylperoxy)methyl]-2-fluorobenzene has a molecular weight of 192.14 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methylperoxy)methyl]-2-fluorobenzene is sourced from PubChem (CID 161069405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).