1-propylperoxy-2-(trifluoromethyl)benzene

C10H11F3O2 — CID 161476035

IUPAC1-propylperoxy-2-(trifluoromethyl)benzene
SMILESCCCOOc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-2-7-14-15-9-6-4-3-5-8(9)10(11,12)13/h3-6H,2,7H2,1H3
InChIKeyWDSNTQPQNBBZBL-UHFFFAOYSA-N
MW220.19 g/mol
LogP3.43
Rot. Bonds4

About 1-propylperoxy-2-(trifluoromethyl)benzene

1-propylperoxy-2-(trifluoromethyl)benzene (PubChem CID 161476035) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-propylperoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-propylperoxy-2-(trifluoromethyl)benzene
PubChem CID161476035
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name1-propylperoxy-2-(trifluoromethyl)benzene
SMILESCCCOOc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-2-7-14-15-9-6-4-3-5-8(9)10(11,12)13/h3-6H,2,7H2,1H3
InChIKeyWDSNTQPQNBBZBL-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
1-(trifluoromethyl)-2-(trioxidanyl)benzene
CID 90090686
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354628
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
CID 107942467
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 55145902
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
octyl [2-(trifluoromethyl)phenyl] carbonate
CID 154202419
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093

Frequently Asked Questions

What is the IUPAC name of 1-propylperoxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-propylperoxy-2-(trifluoromethyl)benzene (CID 161476035) is 1-propylperoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-propylperoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-propylperoxy-2-(trifluoromethyl)benzene is CCCOOc1ccccc1C(F)(F)F.
What is the InChIKey of 1-propylperoxy-2-(trifluoromethyl)benzene?
The InChIKey is WDSNTQPQNBBZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-2-7-14-15-9-6-4-3-5-8(9)10(11,12)13/h3-6H,2,7H2,1H3.
What are the key properties of 1-propylperoxy-2-(trifluoromethyl)benzene?
1-propylperoxy-2-(trifluoromethyl)benzene has a molecular weight of 220.19 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylperoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 161476035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).