ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate

C8H8F6O6S2 — CID 87464261

IUPACethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O6S2/c1-2-20-6(15)3-4(21(16,17)7(9,10)11)5(3)22(18,19)8(12,13)14/h3-5H,2H2,1H3
InChIKeyRCAKRVJVRREEJX-UHFFFAOYSA-N
MW378.27 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate

ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate (PubChem CID 87464261) has the molecular formula C8H8F6O6S2 and a molecular weight of 378.27 g/mol. Its IUPAC name is ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
PubChem CID87464261
Molecular FormulaC8H8F6O6S2
Molecular Weight378.27 g/mol
Exact Mass377.97
IUPAC Nameethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O6S2/c1-2-20-6(15)3-4(21(16,17)7(9,10)11)5(3)22(18,19)8(12,13)14/h3-5H,2H2,1H3
InChIKeyRCAKRVJVRREEJX-UHFFFAOYSA-N
XLogP0.79
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate (CID 87464261) is ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate is CCOC(=O)C1C(S(=O)(=O)C(F)(F)F)C1S(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
The InChIKey is RCAKRVJVRREEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O6S2/c1-2-20-6(15)3-4(21(16,17)7(9,10)11)5(3)22(18,19)8(12,13)14/h3-5H,2H2,1H3.
What are the key properties of ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate has a molecular weight of 378.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 87464261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).