ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate

C9H11F3O3 — CID 10585207

IUPACethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate
SMILESC=CC1COC(F)(F)C1(F)C(=O)OCC
InChIInChI=1S/C9H11F3O3/c1-3-6-5-15-9(11,12)8(6,10)7(13)14-4-2/h3,6H,1,4-5H2,2H3
InChIKeyCKSPSSBJNMMMJT-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.68
Rot. Bonds3

About ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate

ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate (PubChem CID 10585207) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate
PubChem CID10585207
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Nameethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate
SMILESC=CC1COC(F)(F)C1(F)C(=O)OCC
InChIInChI=1S/C9H11F3O3/c1-3-6-5-15-9(11,12)8(6,10)7(13)14-4-2/h3,6H,1,4-5H2,2H3
InChIKeyCKSPSSBJNMMMJT-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
CID 69120014
cis-ethyl (1R,2R)-1-(chloroamino)-2-ethenylcyclopropane-1-carboxylate
CID 87414825
trans-ethyl (1S,5S)-3-ethenyl-2,2-difluoro-5-methylcyclopentane-1-carboxylate
CID 102002531
1-O-ethyl 1-O'-(2-phosphonooxyethyl) 2-ethenylcyclopropane-1,1-dicarboxylate
CID 59027122
(E)-1,4-dibromobut-2-ene;diethyl 2-ethenylcyclopropane-1,1-dicarboxylate;diethyl propanedioate;ethane
CID 161195875
diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate
CID 11630536
ethyl (3aS,5S,6aR)-5-ethenyl-6,6-difluoro-1,3a,4,5-tetrahydrocyclopenta[c]pyrazole-6a-carboxylate
CID 102002532
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethane;trans-ethyl (1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 143329843
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
diethyl (3S)-3-ethenyl-4-formylcyclopentane-1,1-dicarboxylate
CID 154715867
ethyl 2,2,3-trifluoro-3-methyl-1-prop-2-enoxycyclopropane-1-carboxylate
CID 118202106

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate?
The IUPAC name of ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate (CID 10585207) is ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate.
What is the SMILES notation for ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate?
The canonical SMILES for ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate is C=CC1COC(F)(F)C1(F)C(=O)OCC.
What is the InChIKey of ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate?
The InChIKey is CKSPSSBJNMMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-3-6-5-15-9(11,12)8(6,10)7(13)14-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate?
ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate has a molecular weight of 224.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenyl-2,2,3-trifluorooxolane-3-carboxylate is sourced from PubChem (CID 10585207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).