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

C8H13F2NO2 — CID 143913167

IUPACethyl 3-(cyclopropylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CNC1CC1
InChIInChI=1S/C8H13F2NO2/c1-2-13-7(12)8(9,10)5-11-6-3-4-6/h6,11H,2-5H2,1H3
InChIKeyCABNZEBXSLYCCB-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.94
Rot. Bonds5

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

ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate (PubChem CID 143913167) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)-2,2-difluoropropanoate
PubChem CID143913167
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Nameethyl 3-(cyclopropylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CNC1CC1
InChIInChI=1S/C8H13F2NO2/c1-2-13-7(12)8(9,10)5-11-6-3-4-6/h6,11H,2-5H2,1H3
InChIKeyCABNZEBXSLYCCB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(cyclopropylamino)-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

Related Compounds

2-[[[3-(2-ethoxy-1,1-difluoro-2-oxoethyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid
CID 122128582
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid
CID 175970805
ethyl 3-(but-3-ynylamino)-2,2-difluoropropanoate
CID 165462770
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl 4-[(3-amino-3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 112753907
3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 104530552
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
1-O-ethyl 4-O-methyl 2,2,3,3-tetrafluorobutanedioate
CID 15889497

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate (CID 143913167) is ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CNC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate?
The InChIKey is CABNZEBXSLYCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-13-7(12)8(9,10)5-11-6-3-4-6/h6,11H,2-5H2,1H3.
What are the key properties of ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate?
ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate has a molecular weight of 193.19 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate is sourced from PubChem (CID 143913167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).