2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate

C11H17F3NO3- — CID 20979448

IUPAC2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate
SMILESCCCCC(C)(CCNC(=O)C(F)(F)F)C(=O)[O-]
InChIInChI=1S/C11H18F3NO3/c1-3-4-5-10(2,9(17)18)6-7-15-8(16)11(12,13)14/h3-7H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyZXEYYVFLOVUIBU-UHFFFAOYSA-M
MW268.25 g/mol
LogP1.00
Rot. Bonds7

About 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate

2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate (PubChem CID 20979448) has the molecular formula C11H17F3NO3- and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate.

Molecular Properties

Compound Name2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate
PubChem CID20979448
Molecular FormulaC11H17F3NO3-
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Name2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate
SMILESCCCCC(C)(CCNC(=O)C(F)(F)F)C(=O)[O-]
InChIInChI=1S/C11H18F3NO3/c1-3-4-5-10(2,9(17)18)6-7-15-8(16)11(12,13)14/h3-7H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyZXEYYVFLOVUIBU-UHFFFAOYSA-M
XLogP1.00
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate?
The IUPAC name of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate (CID 20979448) is 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate.
What is the SMILES notation for 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate?
The canonical SMILES for 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate is CCCCC(C)(CCNC(=O)C(F)(F)F)C(=O)[O-].
What is the InChIKey of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate?
The InChIKey is ZXEYYVFLOVUIBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18F3NO3/c1-3-4-5-10(2,9(17)18)6-7-15-8(16)11(12,13)14/h3-7H2,1-2H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate?
2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate has a molecular weight of 268.25 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate is sourced from PubChem (CID 20979448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).