1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene

C11H13F3O2 — CID 177210154

IUPAC1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene
SMILESC=CC1=C(C)C(OO)C(CC(F)(F)F)C1=C
InChIInChI=1S/C11H13F3O2/c1-4-8-6(2)9(5-11(12,13)14)10(16-15)7(8)3/h4,9-10,15H,1-2,5H2,3H3
InChIKeyVBKONRAYYJGJGI-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.49
Rot. Bonds3

About 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene

1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene (PubChem CID 177210154) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene.

Molecular Properties

Compound Name1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene
PubChem CID177210154
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene
SMILESC=CC1=C(C)C(OO)C(CC(F)(F)F)C1=C
InChIInChI=1S/C11H13F3O2/c1-4-8-6(2)9(5-11(12,13)14)10(16-15)7(8)3/h4,9-10,15H,1-2,5H2,3H3
InChIKeyVBKONRAYYJGJGI-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
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

Ethene;1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene
CID 177210153
6-Fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate
CID 150784798

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene?
The IUPAC name of 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene (CID 177210154) is 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene.
What is the SMILES notation for 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene?
The canonical SMILES for 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene is C=CC1=C(C)C(OO)C(CC(F)(F)F)C1=C.
What is the InChIKey of 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene?
The InChIKey is VBKONRAYYJGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-4-8-6(2)9(5-11(12,13)14)10(16-15)7(8)3/h4,9-10,15H,1-2,5H2,3H3.
What are the key properties of 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene?
1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene has a molecular weight of 234.22 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-hydroperoxy-2-methyl-5-methylidene-4-(2,2,2-trifluoroethyl)cyclopentene is sourced from PubChem (CID 177210154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).