tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate

C21H34F7NO3 — CID 91737669

IUPACtetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C21H34F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-32-17(30)16-29(2)18(31)19(22,23)20(24,25)21(26,27)28/h3-16H2,1-2H3
InChIKeyBBWZOJDUVGYTDC-UHFFFAOYSA-N
MW481.49 g/mol
LogP6.52
Rot. Bonds17

About tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate

tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate (PubChem CID 91737669) has the molecular formula C21H34F7NO3 and a molecular weight of 481.49 g/mol. Its IUPAC name is tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate.

Molecular Properties

Compound Nametetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
PubChem CID91737669
Molecular FormulaC21H34F7NO3
Molecular Weight481.49 g/mol
Exact Mass481.24
IUPAC Nametetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C21H34F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-32-17(30)16-29(2)18(31)19(22,23)20(24,25)21(26,27)28/h3-16H2,1-2H3
InChIKeyBBWZOJDUVGYTDC-UHFFFAOYSA-N
XLogP6.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.49
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
CID 91737665
hexyl 2-[methyl-[2-[methyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]acetyl]amino]acetate
CID 91745368
pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 521107
octadecyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 91703023
octadecyl 2-[methyl(tetradecanoyl)amino]acetate
CID 141251537
pentadecyl 2-[hexanoyl(methyl)amino]acetate
CID 91692238
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
4-O-(2,2,3,3,4,4,4-heptafluorobutyl) 1-O-octadecyl butanedioate
CID 91740883
2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide
CID 169289327
octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 86127603
5-O-(2,2,3,3,4,4,4-heptafluorobutyl) 1-O-icosyl pentanedioate
CID 91709502
heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
CID 91704966

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate?
The IUPAC name of tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate (CID 91737669) is tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate.
What is the SMILES notation for tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate?
The canonical SMILES for tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate is CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate?
The InChIKey is BBWZOJDUVGYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-32-17(30)16-29(2)18(31)19(22,23)20(24,25)21(26,27)28/h3-16H2,1-2H3.
What are the key properties of tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate?
tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate has a molecular weight of 481.49 g/mol, XLogP of 6.52, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate is sourced from PubChem (CID 91737669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).