tert-butyl 2-(2,2-difluoropropylamino)acetate

C9H17F2NO2 — CID 156517913

IUPACtert-butyl 2-(2,2-difluoropropylamino)acetate
SMILESCC(F)(F)CNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H17F2NO2/c1-8(2,3)14-7(13)5-12-6-9(4,10)11/h12H,5-6H2,1-4H3
InChIKeyQDFKRRHQUXMQEV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl 2-(2,2-difluoropropylamino)acetate

tert-butyl 2-(2,2-difluoropropylamino)acetate (PubChem CID 156517913) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is tert-butyl 2-(2,2-difluoropropylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-difluoropropylamino)acetate
PubChem CID156517913
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Nametert-butyl 2-(2,2-difluoropropylamino)acetate
SMILESCC(F)(F)CNCC(=O)OC(C)(C)C
InChIInChI=1S/C9H17F2NO2/c1-8(2,3)14-7(13)5-12-6-9(4,10)11/h12H,5-6H2,1-4H3
InChIKeyQDFKRRHQUXMQEV-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-difluoropropylamino)acetate?
The IUPAC name of tert-butyl 2-(2,2-difluoropropylamino)acetate (CID 156517913) is tert-butyl 2-(2,2-difluoropropylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2,2-difluoropropylamino)acetate?
The canonical SMILES for tert-butyl 2-(2,2-difluoropropylamino)acetate is CC(F)(F)CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,2-difluoropropylamino)acetate?
The InChIKey is QDFKRRHQUXMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-8(2,3)14-7(13)5-12-6-9(4,10)11/h12H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-(2,2-difluoropropylamino)acetate?
tert-butyl 2-(2,2-difluoropropylamino)acetate has a molecular weight of 209.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-difluoropropylamino)acetate is sourced from PubChem (CID 156517913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).