ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate

C7H9F3O4S — CID 68672640

IUPACethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O4S/c1-2-14-5(11)6(3-4-6)15(12,13)7(8,9)10/h2-4H2,1H3
InChIKeyKFUNDWKFDHHVRK-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.02
Rot. Bonds3

About ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate

ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate (PubChem CID 68672640) has the molecular formula C7H9F3O4S and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
PubChem CID68672640
Molecular FormulaC7H9F3O4S
Molecular Weight246.21 g/mol
Exact Mass246.02
IUPAC Nameethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O4S/c1-2-14-5(11)6(3-4-6)15(12,13)7(8,9)10/h2-4H2,1H3
InChIKeyKFUNDWKFDHHVRK-UHFFFAOYSA-N
XLogP1.02
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(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

Related Compounds

Ethyl 1-methanesulfonylcyclopropane-1-carboxylate
CID 66545176
(2,2-Difluoro-2-methoxysulfonylethyl) butanoate
CID 57968484
Ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
CID 87464261
(2,3,3-Trifluoro-3-methylsulfonylpropyl) butanoate
CID 118032997
2-(Cyclopropanecarbonyloxy)-1,1-difluoroethanesulfonic acid
CID 129070657
[3,3,3-Trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate
CID 140566975
2-Butanoyloxy-1,1-difluoroethanesulfonate
CID 140660151
3-Butanoyloxy-1,1,2-trifluoropropane-1-sulfonate
CID 140671962
Ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
CID 146442008
1,1-Difluoro-2-(1-methylcyclopropanecarbonyl)oxyethanesulfonic acid
CID 170409807
4-(Cyclopropanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate
CID 177070548
Methyl 3-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]butanoate
CID 66116220

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate (CID 68672640) is ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate is CCOC(=O)C1(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
The InChIKey is KFUNDWKFDHHVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O4S/c1-2-14-5(11)6(3-4-6)15(12,13)7(8,9)10/h2-4H2,1H3.
What are the key properties of ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate?
ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate has a molecular weight of 246.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 68672640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).