10-[(2,2,2-trifluoroacetyl)amino]decanoic acid

C12H20F3NO3 — CID 21043572

IUPAC10-[(2,2,2-trifluoroacetyl)amino]decanoic acid
SMILESO=C(O)CCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)11(19)16-9-7-5-3-1-2-4-6-8-10(17)18/h1-9H2,(H,16,19)(H,17,18)
InChIKeyTZHYXOTXTFJIAK-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.87
Rot. Bonds10

About 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid

10-[(2,2,2-trifluoroacetyl)amino]decanoic acid (PubChem CID 21043572) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid.

Molecular Properties

Compound Name10-[(2,2,2-trifluoroacetyl)amino]decanoic acid
PubChem CID21043572
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name10-[(2,2,2-trifluoroacetyl)amino]decanoic acid
SMILESO=C(O)CCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)11(19)16-9-7-5-3-1-2-4-6-8-10(17)18/h1-9H2,(H,16,19)(H,17,18)
InChIKeyTZHYXOTXTFJIAK-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid?
The IUPAC name of 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid (CID 21043572) is 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid.
What is the SMILES notation for 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid?
The canonical SMILES for 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid is O=C(O)CCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid?
The InChIKey is TZHYXOTXTFJIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)11(19)16-9-7-5-3-1-2-4-6-8-10(17)18/h1-9H2,(H,16,19)(H,17,18).
What are the key properties of 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid?
10-[(2,2,2-trifluoroacetyl)amino]decanoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2,2,2-trifluoroacetyl)amino]decanoic acid is sourced from PubChem (CID 21043572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).