ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate

C14H19F3N2O3 — CID 170756464

IUPACethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
SMILESCCOC(=O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C14H19F3N2O3/c1-2-22-10(20)9-5-18-6-12(9)7-19(8-12)11(21)13(3-4-13)14(15,16)17/h9,18H,2-8H2,1H3
InChIKeyMADOGZGIWQSMIC-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.94
Rot. Bonds3

About ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate

ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 170756464) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
PubChem CID170756464
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Nameethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
SMILESCCOC(=O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C14H19F3N2O3/c1-2-22-10(20)9-5-18-6-12(9)7-19(8-12)11(21)13(3-4-13)14(15,16)17/h9,18H,2-8H2,1H3
InChIKeyMADOGZGIWQSMIC-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-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-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate (CID 170756464) is ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate is CCOC(=O)C1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2.
What is the InChIKey of ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is MADOGZGIWQSMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-2-22-10(20)9-5-18-6-12(9)7-19(8-12)11(21)13(3-4-13)14(15,16)17/h9,18H,2-8H2,1H3.
What are the key properties of ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate?
ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 320.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 170756464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).