butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C10H16F3NO3 — CID 592907

IUPACbutan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCC(C)OC(=O)C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16)9(3,4)14-7(15)10(11,12)13/h6H,5H2,1-4H3,(H,14,15)
InChIKeyHPDZPPNNMYSICB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.79
Rot. Bonds4

About butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 592907) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID592907
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namebutan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCC(C)OC(=O)C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16)9(3,4)14-7(15)10(11,12)13/h6H,5H2,1-4H3,(H,14,15)
InChIKeyHPDZPPNNMYSICB-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 592907) is butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CCC(C)OC(=O)C(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is HPDZPPNNMYSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16)9(3,4)14-7(15)10(11,12)13/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 255.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 592907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).