pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate

C14H19F3O2 — CID 141208439

IUPACpent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate
SMILESCCC=CCOC(=O)C1C(C=CC(F)(F)F)C1(C)C
InChIInChI=1S/C14H19F3O2/c1-4-5-6-9-19-12(18)11-10(13(11,2)3)7-8-14(15,16)17/h5-8,10-11H,4,9H2,1-3H3
InChIKeyBEDYOJORVMGXAF-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.89
Rot. Bonds5

About pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate

pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 141208439) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namepent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID141208439
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Namepent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate
SMILESCCC=CCOC(=O)C1C(C=CC(F)(F)F)C1(C)C
InChIInChI=1S/C14H19F3O2/c1-4-5-6-9-19-12(18)11-10(13(11,2)3)7-8-14(15,16)17/h5-8,10-11H,4,9H2,1-3H3
InChIKeyBEDYOJORVMGXAF-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.89
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 pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate (CID 141208439) is pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate is CCC=CCOC(=O)C1C(C=CC(F)(F)F)C1(C)C.
What is the InChIKey of pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is BEDYOJORVMGXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-4-5-6-9-19-12(18)11-10(13(11,2)3)7-8-14(15,16)17/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate?
pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enyl 2,2-dimethyl-3-(3,3,3-trifluoroprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 141208439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).