(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate

C17H20F4O3 — CID 13044728

IUPAC(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate
SMILESC=CCC1=C(C)C(OC(=O)C2C(CF)(CF)C2(CF)CF)CC1=O
InChIInChI=1S/C17H20F4O3/c1-3-4-11-10(2)13(5-12(11)22)24-15(23)14-16(6-18,7-19)17(14,8-20)9-21/h3,13-14H,1,4-9H2,2H3
InChIKeyXBRYBEQOILRZMF-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.24
Rot. Bonds8

About (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate

(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate (PubChem CID 13044728) has the molecular formula C17H20F4O3 and a molecular weight of 348.34 g/mol. Its IUPAC name is (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate
PubChem CID13044728
Molecular FormulaC17H20F4O3
Molecular Weight348.34 g/mol
Exact Mass348.13
IUPAC Name(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate
SMILESC=CCC1=C(C)C(OC(=O)C2C(CF)(CF)C2(CF)CF)CC1=O
InChIInChI=1S/C17H20F4O3/c1-3-4-11-10(2)13(5-12(11)22)24-15(23)14-16(6-18,7-19)17(14,8-20)9-21/h3,13-14H,1,4-9H2,2H3
InChIKeyXBRYBEQOILRZMF-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Allethrins
CID 11442
Pyrethrin II
CID 5281555
Prallethrin
CID 9839306
Pyrethrin I
CID 5281045
Bioallethrin
CID 15558638
S-Bioallethrin
CID 62829
Cinerin I
CID 5281547
cinerin II
CID 5281548
Jasmolin I
CID 12304687
Jasmolin II
CID 12304690
[(1R)-2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 16403316
(-)-trans-(S)-allethrin
CID 908624

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate (CID 13044728) is (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate is C=CCC1=C(C)C(OC(=O)C2C(CF)(CF)C2(CF)CF)CC1=O.
What is the InChIKey of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is XBRYBEQOILRZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4O3/c1-3-4-11-10(2)13(5-12(11)22)24-15(23)14-16(6-18,7-19)17(14,8-20)9-21/h3,13-14H,1,4-9H2,2H3.
What are the key properties of (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate?
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 348.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 13044728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).