tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

C18H32F3NO3 — CID 91725894

IUPACtetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C18H32F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-16(23)15-22-17(24)18(19,20)21/h2-15H2,1H3,(H,22,24)
InChIKeyYTSNRLXQZGYAMT-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.91
Rot. Bonds15

About tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 91725894) has the molecular formula C18H32F3NO3 and a molecular weight of 367.45 g/mol. Its IUPAC name is tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nametetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID91725894
Molecular FormulaC18H32F3NO3
Molecular Weight367.45 g/mol
Exact Mass367.23
IUPAC Nametetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C18H32F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-16(23)15-22-17(24)18(19,20)21/h2-15H2,1H3,(H,22,24)
InChIKeyYTSNRLXQZGYAMT-UHFFFAOYSA-N
XLogP4.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sarcosine, n-pentafluoropropionyl-, tetradecyl ester
CID 91730565
Sarcosine, n-pentafluoropropionyl-, dodecyl ester
CID 91730566
Sarcosine, n-pentafluoropropionyl-, pentadecyl ester
CID 91730567
Sarcosine, n-pentafluoropropionyl-, hexadecyl ester
CID 91730571
Sarcosine, n-pentafluoropropionyl-, heptadecyl ester
CID 91730572
Sarcosine, n-pentafluoropropionyl-, octadecyl ester
CID 91730573
l-Valine, n-pentafluoropropionyl-, undecyl ester
CID 91735367
l-Valine, n-pentafluoropropionyl-, dodecyl ester
CID 91735368
l-Valine, n-pentafluoropropionyl-, tetradecyl ester
CID 91735369
l-Valine, n-pentafluoropropionyl-, pentadecyl ester
CID 91735370
l-Valine, n-pentafluoropropionyl-, hexadecyl ester
CID 91735371
l-Valine, n-pentafluoropropionyl-, heptadecyl ester
CID 91735373

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 91725894) is tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is CCCCCCCCCCCCCCOC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is YTSNRLXQZGYAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-16(23)15-22-17(24)18(19,20)21/h2-15H2,1H3,(H,22,24).
What are the key properties of tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 367.45 g/mol, XLogP of 4.91, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 91725894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).