2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid

C14H24F3NO3 — CID 88560982

IUPAC2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid
SMILESCC(C)(CCCCCC(C)(C)C(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-12(2,11(20)21)8-6-5-7-9-13(3,4)18-10(19)14(15,16)17/h5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyZUNKEIGDWSEUOO-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.50
Rot. Bonds8

About 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid

2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid (PubChem CID 88560982) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid.

Molecular Properties

Compound Name2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid
PubChem CID88560982
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid
SMILESCC(C)(CCCCCC(C)(C)C(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-12(2,11(20)21)8-6-5-7-9-13(3,4)18-10(19)14(15,16)17/h5-9H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyZUNKEIGDWSEUOO-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.50
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 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid?
The IUPAC name of 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid (CID 88560982) is 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid.
What is the SMILES notation for 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid?
The canonical SMILES for 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid is CC(C)(CCCCCC(C)(C)C(=O)O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid?
The InChIKey is ZUNKEIGDWSEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-12(2,11(20)21)8-6-5-7-9-13(3,4)18-10(19)14(15,16)17/h5-9H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid?
2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid has a molecular weight of 311.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-8-[(2,2,2-trifluoroacetyl)amino]nonanoic acid is sourced from PubChem (CID 88560982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).