2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid

C11H18F3NO3 — CID 20979449

IUPAC2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid
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)
InChIKeyZXEYYVFLOVUIBU-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.34
Rot. Bonds7

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

2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid (PubChem CID 20979449) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid
PubChem CID20979449
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid
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)
InChIKeyZXEYYVFLOVUIBU-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid?
The IUPAC name of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid (CID 20979449) is 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid 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]hexanoic acid?
The InChIKey is ZXEYYVFLOVUIBU-UHFFFAOYSA-N. 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).
What are the key properties of 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid?
2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid is sourced from PubChem (CID 20979449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).