[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C17H23F3O2 — CID 22908393

IUPAC[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)C2C(C)(C)C2(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C17H23F3O2/c1-9-7-12(10(2)11(9)8-17(18,19)20)22-14(21)13-15(3,4)16(13,5)6/h12-13H,1,7-8H2,2-6H3
InChIKeyLMGASANIFJGNKA-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.81
Rot. Bonds3

About [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate

[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 22908393) has the molecular formula C17H23F3O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID22908393
Molecular FormulaC17H23F3O2
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Name[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESC=C1CC(OC(=O)C2C(C)(C)C2(C)C)C(C)=C1CC(F)(F)F
InChIInChI=1S/C17H23F3O2/c1-9-7-12(10(2)11(9)8-17(18,19)20)22-14(21)13-15(3,4)16(13,5)6/h12-13H,1,7-8H2,2-6H3
InChIKeyLMGASANIFJGNKA-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 22908393) is [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate is C=C1CC(OC(=O)C2C(C)(C)C2(C)C)C(C)=C1CC(F)(F)F.
What is the InChIKey of [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is LMGASANIFJGNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O2/c1-9-7-12(10(2)11(9)8-17(18,19)20)22-14(21)13-15(3,4)16(13,5)6/h12-13H,1,7-8H2,2-6H3.
What are the key properties of [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
[2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 22908393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).