1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene

C18H21FO2 — CID 54518129

IUPAC1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
SMILESCC(C)(OOC(C)(C)c1ccccc1F)c1ccccc1
InChIInChI=1S/C18H21FO2/c1-17(2,14-10-6-5-7-11-14)20-21-18(3,4)15-12-8-9-13-16(15)19/h5-13H,1-4H3
InChIKeyYNVPVMOORKWCOJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.94
Rot. Bonds5

About 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene

1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene (PubChem CID 54518129) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
PubChem CID54518129
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
SMILESCC(C)(OOC(C)(C)c1ccccc1F)c1ccccc1
InChIInChI=1S/C18H21FO2/c1-17(2,14-10-6-5-7-11-14)20-21-18(3,4)15-12-8-9-13-16(15)19/h5-13H,1-4H3
InChIKeyYNVPVMOORKWCOJ-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.94
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

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
CID 66877184
2-ethylperoxypropan-2-ylbenzene
CID 14923166
2-(2-fluorophenyl)-1-(methylamino)propan-2-ol
CID 62774362
N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
CID 161069405

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene?
The IUPAC name of 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene (CID 54518129) is 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene?
The canonical SMILES for 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene is CC(C)(OOC(C)(C)c1ccccc1F)c1ccccc1.
What is the InChIKey of 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene?
The InChIKey is YNVPVMOORKWCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-17(2,14-10-6-5-7-11-14)20-21-18(3,4)15-12-8-9-13-16(15)19/h5-13H,1-4H3.
What are the key properties of 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene?
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene has a molecular weight of 288.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene is sourced from PubChem (CID 54518129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).