tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate

C9H15F4NO2 — CID 106291499

IUPACtert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate
SMILESCC(C)(C)OC(=O)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-8(2,3)16-6(15)4-14-5-9(12,13)7(10)11/h7,14H,4-5H2,1-3H3
InChIKeyQJSBQPFCWZYQGZ-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate

tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate (PubChem CID 106291499) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate
PubChem CID106291499
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Nametert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate
SMILESCC(C)(C)OC(=O)CNCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-8(2,3)16-6(15)4-14-5-9(12,13)7(10)11/h7,14H,4-5H2,1-3H3
InChIKeyQJSBQPFCWZYQGZ-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-formamidoacetate
CID 11469223
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 2-(cyanomethylamino)acetate
CID 91827792
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
CID 106291879
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-(methylamino)acetate;ethane
CID 143004820
tert-butyl 2-(methylamino)acetate;hydrochloride
CID 11252350
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
tert-butyl 2-[2-[methyl(propan-2-yl)amino]ethylamino]acetate
CID 62641218
tert-butyl 2-(3-bromopropylamino)acetate
CID 87746649

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate?
The IUPAC name of tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate (CID 106291499) is tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate?
The canonical SMILES for tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate is CC(C)(C)OC(=O)CNCC(F)(F)C(F)F.
What is the InChIKey of tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate?
The InChIKey is QJSBQPFCWZYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c1-8(2,3)16-6(15)4-14-5-9(12,13)7(10)11/h7,14H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate?
tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate has a molecular weight of 245.22 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2,3,3-tetrafluoropropylamino)acetate is sourced from PubChem (CID 106291499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).