cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C17H19Cl2F3O2 — CID 22865100

IUPACcis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C17H19Cl2F3O2/c1-8-5-12(9(2)10(8)7-17(20,21)22)24-15(23)14-11(6-13(18)19)16(14,3)4/h6,11-12,14H,1,5,7H2,2-4H3/t11-,12?,14+/m1/s1
InChIKeyDSCJLELZCUKRGX-SOGVLRHJSA-N
MW383.24 g/mol
LogP5.72
Rot. Bonds4

About cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 22865100) has the molecular formula C17H19Cl2F3O2 and a molecular weight of 383.24 g/mol. Its IUPAC name is cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID22865100
Molecular FormulaC17H19Cl2F3O2
Molecular Weight383.24 g/mol
Exact Mass382.07
IUPAC Namecis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C17H19Cl2F3O2/c1-8-5-12(9(2)10(8)7-17(20,21)22)24-15(23)14-11(6-13(18)19)16(14,3)4/h6,11-12,14H,1,5,7H2,2-4H3/t11-,12?,14+/m1/s1
InChIKeyDSCJLELZCUKRGX-SOGVLRHJSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate with MolForge

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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,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 22865100) is cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is C=C1CC(OC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)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,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is DSCJLELZCUKRGX-SOGVLRHJSA-N. The full InChI is InChI=1S/C17H19Cl2F3O2/c1-8-5-12(9(2)10(8)7-17(20,21)22)24-15(23)14-11(6-13(18)19)16(14,3)4/h6,11-12,14H,1,5,7H2,2-4H3/t11-,12?,14+/m1/s1.
What are the key properties of cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
cis-[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 383.24 g/mol, XLogP of 5.72, 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,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 22865100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).