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

C19H34F3NO3 — CID 91725895

IUPACpentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCCCCCCCCCCCCCCOC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C19H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-17(24)16-23-18(25)19(20,21)22/h2-16H2,1H3,(H,23,25)
InChIKeyQRZPVCKVDXXOHY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.30
Rot. Bonds16

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

pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 91725895) has the molecular formula C19H34F3NO3 and a molecular weight of 381.48 g/mol. Its IUPAC name is pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namepentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID91725895
Molecular FormulaC19H34F3NO3
Molecular Weight381.48 g/mol
Exact Mass381.25
IUPAC Namepentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCCCCCCCCCCCCCCOC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C19H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-17(24)16-23-18(25)19(20,21)22/h2-16H2,1H3,(H,23,25)
InChIKeyQRZPVCKVDXXOHY-UHFFFAOYSA-N
XLogP5.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze pentadecyl 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 pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 91725895) is pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is CCCCCCCCCCCCCCCOC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is QRZPVCKVDXXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26-17(24)16-23-18(25)19(20,21)22/h2-16H2,1H3,(H,23,25).
What are the key properties of pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 381.48 g/mol, XLogP of 5.30, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 91725895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).