2,2,2-trifluoro-N-tetradecylacetamide

C16H30F3NO — CID 617518

IUPAC2,2,2-trifluoro-N-tetradecylacetamide
SMILESCCCCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15(21)16(17,18)19/h2-14H2,1H3,(H,20,21)
InChIKeyMQMIATHAPLUUAU-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.37
Rot. Bonds13

About 2,2,2-trifluoro-N-tetradecylacetamide

2,2,2-trifluoro-N-tetradecylacetamide (PubChem CID 617518) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-tetradecylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-tetradecylacetamide
PubChem CID617518
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name2,2,2-trifluoro-N-tetradecylacetamide
SMILESCCCCCCCCCCCCCCNC(=O)C(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15(21)16(17,18)19/h2-14H2,1H3,(H,20,21)
InChIKeyMQMIATHAPLUUAU-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoro-N-tetradecylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-tetradecylacetamide (CID 617518) is 2,2,2-trifluoro-N-tetradecylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-tetradecylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-tetradecylacetamide is CCCCCCCCCCCCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-tetradecylacetamide?
The InChIKey is MQMIATHAPLUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15(21)16(17,18)19/h2-14H2,1H3,(H,20,21).
What are the key properties of 2,2,2-trifluoro-N-tetradecylacetamide?
2,2,2-trifluoro-N-tetradecylacetamide has a molecular weight of 309.42 g/mol, XLogP of 5.37, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-tetradecylacetamide is sourced from PubChem (CID 617518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).