ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate

C10H13F3O3 — CID 118202106

IUPACethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate
SMILESC=CCOC1(C(=O)OCC)C(C)(F)C1(F)F
InChIInChI=1S/C10H13F3O3/c1-4-6-16-9(7(14)15-5-2)8(3,11)10(9,12)13/h4H,1,5-6H2,2-3H3
InChIKeyKERHMLMWLUDFLS-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate

ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate (PubChem CID 118202106) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate
PubChem CID118202106
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Nameethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate
SMILESC=CCOC1(C(=O)OCC)C(C)(F)C1(F)F
InChIInChI=1S/C10H13F3O3/c1-4-6-16-9(7(14)15-5-2)8(3,11)10(9,12)13/h4H,1,5-6H2,2-3H3
InChIKeyKERHMLMWLUDFLS-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
diethyl (3S)-3-ethenyl-4-formylcyclopentane-1,1-dicarboxylate
CID 154715867
diethyl 2-ethenyl-2-methylcyclopropane-1,1-dicarboxylate
CID 14113984
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate
CID 10585207
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;methylimino(oxo)methane
CID 160786021
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate (CID 118202106) is ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate is C=CCOC1(C(=O)OCC)C(C)(F)C1(F)F.
What is the InChIKey of ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate?
The InChIKey is KERHMLMWLUDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c1-4-6-16-9(7(14)15-5-2)8(3,11)10(9,12)13/h4H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate?
ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate has a molecular weight of 238.20 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate is sourced from PubChem (CID 118202106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).