ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate

C11H15F3O4S — CID 146442115

IUPACethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3O4S/c1-2-18-8(15)10(5-6-10)19(16,17)7-9(3-4-9)11(12,13)14/h2-7H2,1H3
InChIKeyVXVOCEXPRPNBNK-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.84
Rot. Bonds5

About ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate

ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate (PubChem CID 146442115) has the molecular formula C11H15F3O4S and a molecular weight of 300.30 g/mol. Its IUPAC name is ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate
PubChem CID146442115
Molecular FormulaC11H15F3O4S
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Nameethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3O4S/c1-2-18-8(15)10(5-6-10)19(16,17)7-9(3-4-9)11(12,13)14/h2-7H2,1H3
InChIKeyVXVOCEXPRPNBNK-UHFFFAOYSA-N
XLogP1.84
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]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 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate (CID 146442115) is ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate is CCOC(=O)C1(S(=O)(=O)CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate?
The InChIKey is VXVOCEXPRPNBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O4S/c1-2-18-8(15)10(5-6-10)19(16,17)7-9(3-4-9)11(12,13)14/h2-7H2,1H3.
What are the key properties of ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate?
ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate has a molecular weight of 300.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 146442115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).