ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate

C9H15F2NO2 — CID 58015120

IUPACethyl 3-(cyclobutylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CNC1CCC1
InChIInChI=1S/C9H15F2NO2/c1-2-14-8(13)9(10,11)6-12-7-4-3-5-7/h7,12H,2-6H2,1H3
InChIKeyVQSNKVDLWIVTIF-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.33
Rot. Bonds5

About ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate

ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate (PubChem CID 58015120) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(cyclobutylamino)-2,2-difluoropropanoate
PubChem CID58015120
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Nameethyl 3-(cyclobutylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CNC1CCC1
InChIInChI=1S/C9H15F2NO2/c1-2-14-8(13)9(10,11)6-12-7-4-3-5-7/h7,12H,2-6H2,1H3
InChIKeyVQSNKVDLWIVTIF-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate 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 3-(cyclobutylamino)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate (CID 58015120) is ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CNC1CCC1.
What is the InChIKey of ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate?
The InChIKey is VQSNKVDLWIVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-14-8(13)9(10,11)6-12-7-4-3-5-7/h7,12H,2-6H2,1H3.
What are the key properties of ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate?
ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate has a molecular weight of 207.22 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclobutylamino)-2,2-difluoropropanoate is sourced from PubChem (CID 58015120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).