cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C19H25F3O2 — CID 15389978

IUPACcis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C19H25F3O2/c1-10(2)7-14-16(18(14,5)6)17(23)24-15-8-11(3)13(12(15)4)9-19(20,21)22/h7,14-16H,3,8-9H2,1-2,4-6H3/t14-,15?,16+/m1/s1
InChIKeyBEYVCKFIWCHCTB-TUOGLVOQSA-N
MW342.40 g/mol
LogP5.37
Rot. Bonds4

About cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 15389978) has the molecular formula C19H25F3O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID15389978
Molecular FormulaC19H25F3O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Namecis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C19H25F3O2/c1-10(2)7-14-16(18(14,5)6)17(23)24-15-8-11(3)13(12(15)4)9-19(20,21)22/h7,14-16H,3,8-9H2,1-2,4-6H3/t14-,15?,16+/m1/s1
InChIKeyBEYVCKFIWCHCTB-TUOGLVOQSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

Pyrethrin I
CID 5281045
Pyrethrin 1
CID 6433154
cis-[2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 45270414
[2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 5371264
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester
CID 56660531
(1S,4S,6R,9E,11R)-5,5-difluoro-4,9-dimethyl-14-methylidene-12-oxatricyclo[9.3.0.04,6]tetradec-9-en-13-one
CID 172458501
cis-[(1R)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 11056553
Pyrethrine 1
CID 579153
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3-trimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylate
CID 12817626
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropane-1-carboxylate
CID 12817668
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylate
CID 13044685
(2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2,3,3-tetrakis(fluoromethyl)cyclopropane-1-carboxylate
CID 13044728

Frequently Asked Questions

What is the IUPAC name of cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 15389978) is cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is C=C1CC(OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C(C)=C1CC(F)(F)F.
What is the InChIKey of cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is BEYVCKFIWCHCTB-TUOGLVOQSA-N. The full InChI is InChI=1S/C19H25F3O2/c1-10(2)7-14-16(18(14,5)6)17(23)24-15-8-11(3)13(12(15)4)9-19(20,21)22/h7,14-16H,3,8-9H2,1-2,4-6H3/t14-,15?,16+/m1/s1.
What are the key properties of cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 15389978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).