[(2,2,2-trifluoroacetyl)amino] pentanoate

C7H10F3NO3 — CID 140661865

IUPAC[(2,2,2-trifluoroacetyl)amino] pentanoate
SMILESCCCCC(=O)ONC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-2-3-4-5(12)14-11-6(13)7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyMADYYLOERPQJEQ-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.31
Rot. Bonds3

About [(2,2,2-trifluoroacetyl)amino] pentanoate

[(2,2,2-trifluoroacetyl)amino] pentanoate (PubChem CID 140661865) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is [(2,2,2-trifluoroacetyl)amino] pentanoate.

Molecular Properties

Compound Name[(2,2,2-trifluoroacetyl)amino] pentanoate
PubChem CID140661865
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name[(2,2,2-trifluoroacetyl)amino] pentanoate
SMILESCCCCC(=O)ONC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-2-3-4-5(12)14-11-6(13)7(8,9)10/h2-4H2,1H3,(H,11,13)
InChIKeyMADYYLOERPQJEQ-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2,2,2-trifluoroacetyl)amino] pentanoate?
The IUPAC name of [(2,2,2-trifluoroacetyl)amino] pentanoate (CID 140661865) is [(2,2,2-trifluoroacetyl)amino] pentanoate.
What is the SMILES notation for [(2,2,2-trifluoroacetyl)amino] pentanoate?
The canonical SMILES for [(2,2,2-trifluoroacetyl)amino] pentanoate is CCCCC(=O)ONC(=O)C(F)(F)F.
What is the InChIKey of [(2,2,2-trifluoroacetyl)amino] pentanoate?
The InChIKey is MADYYLOERPQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-2-3-4-5(12)14-11-6(13)7(8,9)10/h2-4H2,1H3,(H,11,13).
What are the key properties of [(2,2,2-trifluoroacetyl)amino] pentanoate?
[(2,2,2-trifluoroacetyl)amino] pentanoate has a molecular weight of 213.15 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2,2-trifluoroacetyl)amino] pentanoate is sourced from PubChem (CID 140661865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).