2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C14H20ClFO2 — CID 91281858

IUPAC2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCC=C(C)COC(=O)C1C(C=C(F)Cl)C1(C)C
InChIInChI=1S/C14H20ClFO2/c1-5-6-9(2)8-18-13(17)12-10(7-11(15)16)14(12,3)4/h6-7,10,12H,5,8H2,1-4H3
InChIKeyJIATWTPZCNYTJW-UHFFFAOYSA-N
MW274.76 g/mol
LogP4.21
Rot. Bonds5

About 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 91281858) has the molecular formula C14H20ClFO2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID91281858
Molecular FormulaC14H20ClFO2
Molecular Weight274.76 g/mol
Exact Mass274.11
IUPAC Name2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCC=C(C)COC(=O)C1C(C=C(F)Cl)C1(C)C
InChIInChI=1S/C14H20ClFO2/c1-5-6-9(2)8-18-13(17)12-10(7-11(15)16)14(12,3)4/h6-7,10,12H,5,8H2,1-4H3
InChIKeyJIATWTPZCNYTJW-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 91281858) is 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is CCC=C(C)COC(=O)C1C(C=C(F)Cl)C1(C)C.
What is the InChIKey of 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is JIATWTPZCNYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFO2/c1-5-6-9(2)8-18-13(17)12-10(7-11(15)16)14(12,3)4/h6-7,10,12H,5,8H2,1-4H3.
What are the key properties of 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 274.76 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-2-enyl 3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 91281858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).