ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate

C10H16F3NO3 — CID 54900805

IUPACethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CC(F)(F)F)C(C)C
InChIInChI=1S/C10H16F3NO3/c1-4-17-9(16)6-14(7(2)3)8(15)5-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyDBFKSYHIANZDJG-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate

ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate (PubChem CID 54900805) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate
PubChem CID54900805
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CC(F)(F)F)C(C)C
InChIInChI=1S/C10H16F3NO3/c1-4-17-9(16)6-14(7(2)3)8(15)5-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyDBFKSYHIANZDJG-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate (CID 54900805) is ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate is CCOC(=O)CN(C(=O)CC(F)(F)F)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate?
The InChIKey is DBFKSYHIANZDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-17-9(16)6-14(7(2)3)8(15)5-10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate?
ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(3,3,3-trifluoropropanoyl)amino]acetate is sourced from PubChem (CID 54900805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).