(2-fluoroacetyl) benzenecarboperoxoate

C9H7FO4 — CID 87248345

IUPAC(2-fluoroacetyl) benzenecarboperoxoate
SMILESO=C(CF)OOC(=O)c1ccccc1
InChIInChI=1S/C9H7FO4/c10-6-8(11)13-14-9(12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyBAMOMSJCUBLIPI-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.27
Rot. Bonds2

About (2-fluoroacetyl) benzenecarboperoxoate

(2-fluoroacetyl) benzenecarboperoxoate (PubChem CID 87248345) has the molecular formula C9H7FO4 and a molecular weight of 198.15 g/mol. Its IUPAC name is (2-fluoroacetyl) benzenecarboperoxoate.

Molecular Properties

Compound Name(2-fluoroacetyl) benzenecarboperoxoate
PubChem CID87248345
Molecular FormulaC9H7FO4
Molecular Weight198.15 g/mol
Exact Mass198.03
IUPAC Name(2-fluoroacetyl) benzenecarboperoxoate
SMILESO=C(CF)OOC(=O)c1ccccc1
InChIInChI=1S/C9H7FO4/c10-6-8(11)13-14-9(12)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyBAMOMSJCUBLIPI-UHFFFAOYSA-N
XLogP1.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
benzenecarboperoxoic acid;benzoyl benzenecarboperoxoate
CID 87835991
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
benzoyl benzenecarboperoxoate;2-tert-butylperoxy-2-methylpropane
CID 87385719
undec-10-enoyl benzenecarboperoxoate
CID 14098196
azanium benzenecarboperoxoate
CID 141076857
benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol
CID 174908921

Frequently Asked Questions

What is the IUPAC name of (2-fluoroacetyl) benzenecarboperoxoate?
The IUPAC name of (2-fluoroacetyl) benzenecarboperoxoate (CID 87248345) is (2-fluoroacetyl) benzenecarboperoxoate.
What is the SMILES notation for (2-fluoroacetyl) benzenecarboperoxoate?
The canonical SMILES for (2-fluoroacetyl) benzenecarboperoxoate is O=C(CF)OOC(=O)c1ccccc1.
What is the InChIKey of (2-fluoroacetyl) benzenecarboperoxoate?
The InChIKey is BAMOMSJCUBLIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO4/c10-6-8(11)13-14-9(12)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of (2-fluoroacetyl) benzenecarboperoxoate?
(2-fluoroacetyl) benzenecarboperoxoate has a molecular weight of 198.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoroacetyl) benzenecarboperoxoate is sourced from PubChem (CID 87248345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).