1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene

C20H30F2O2 — CID 10172158

IUPAC1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)OOC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30F2O2/c1-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20(21,22)24-23-19(2,3)4/h11-16H,5-10H2,1-4H3
InChIKeyARECDENHMILKME-UHFFFAOYSA-N
MW340.45 g/mol
LogP6.56
Rot. Bonds6

About 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene

1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene (PubChem CID 10172158) has the molecular formula C20H30F2O2 and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
PubChem CID10172158
Molecular FormulaC20H30F2O2
Molecular Weight340.45 g/mol
Exact Mass340.22
IUPAC Name1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(C(F)(F)OOC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H30F2O2/c1-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20(21,22)24-23-19(2,3)4/h11-16H,5-10H2,1-4H3
InChIKeyARECDENHMILKME-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 56.56
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-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
CID 20750897
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
(4-propylcyclohexyl)benzene
CID 155887669
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 22883425

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene (CID 10172158) is 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(C(F)(F)OOC(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene?
The InChIKey is ARECDENHMILKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2O2/c1-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20(21,22)24-23-19(2,3)4/h11-16H,5-10H2,1-4H3.
What are the key properties of 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene?
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene has a molecular weight of 340.45 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 10172158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).