N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide

C16H26F7NO — CID 614894

IUPACN-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H26F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-24-13(25)14(17,18)15(19,20)16(21,22)23/h2-12H2,1H3,(H,24,25)
InChIKeyUTGSQSVMPFAJMN-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.86
Rot. Bonds13

About N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide

N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 614894) has the molecular formula C16H26F7NO and a molecular weight of 381.38 g/mol. Its IUPAC name is N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID614894
Molecular FormulaC16H26F7NO
Molecular Weight381.38 g/mol
Exact Mass381.19
IUPAC NameN-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H26F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-24-13(25)14(17,18)15(19,20)16(21,22)23/h2-12H2,1H3,(H,24,25)
InChIKeyUTGSQSVMPFAJMN-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 3735895
N-dimethyl ammonio propyl-perfluorooctane amide
CID 15579283
3-(Pentadecafluorooctanoylamino)propyltrimethylaminium
CID 15579285
N-[3-(Methylamino)propyl]perfluorooctanamide
CID 53722673
N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 71325636
N-decylbutanamide
CID 3614377
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
n-Dodecyl-2,2,2-trifluoroacetamide
CID 611266
N-dodecylpentanamide
CID 4363972
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-undecylbutanamide
CID 607665
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 614894) is N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide is CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is UTGSQSVMPFAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-24-13(25)14(17,18)15(19,20)16(21,22)23/h2-12H2,1H3,(H,24,25).
What are the key properties of N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 381.38 g/mol, XLogP of 5.86, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 614894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).