2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C14H26F3NO2 — CID 79790966

IUPAC2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCCCCCCCCCNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-3-4-5-6-7-8-9-10-11-18-13(2,12(19)20)14(15,16)17/h18H,3-11H2,1-2H3,(H,19,20)
InChIKeyOWNSTGDQJPCSRS-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.12
Rot. Bonds11

About 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79790966) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79790966
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCCCCCCCCCNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-3-4-5-6-7-8-9-10-11-18-13(2,12(19)20)14(15,16)17/h18H,3-11H2,1-2H3,(H,19,20)
InChIKeyOWNSTGDQJPCSRS-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.12
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 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79790966) is 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CCCCCCCCCCNC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is OWNSTGDQJPCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-3-4-5-6-7-8-9-10-11-18-13(2,12(19)20)14(15,16)17/h18H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 297.36 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79790966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).