ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate

C8H15F2NO2 — CID 86635897

IUPACethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(F)(F)CNC(C)C
InChIInChI=1S/C8H15F2NO2/c1-4-13-7(12)8(9,10)5-11-6(2)3/h6,11H,4-5H2,1-3H3
InChIKeyLNKPHPQVHFEOFX-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.18
Rot. Bonds5

About ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate

ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate (PubChem CID 86635897) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate
PubChem CID86635897
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Nameethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(F)(F)CNC(C)C
InChIInChI=1S/C8H15F2NO2/c1-4-13-7(12)8(9,10)5-11-6(2)3/h6,11H,4-5H2,1-3H3
InChIKeyLNKPHPQVHFEOFX-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate (CID 86635897) is ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate is CCOC(=O)C(F)(F)CNC(C)C.
What is the InChIKey of ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate?
The InChIKey is LNKPHPQVHFEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-4-13-7(12)8(9,10)5-11-6(2)3/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate?
ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate has a molecular weight of 195.21 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(propan-2-ylamino)propanoate is sourced from PubChem (CID 86635897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).