N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide

C14H22F7NO — CID 614791

IUPACN-decyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO/c1-2-3-4-5-6-7-8-9-10-22-11(23)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23)
InChIKeyMJKJTIXPWVPDKF-UHFFFAOYSA-N
MW353.32 g/mol
LogP5.08
Rot. Bonds11

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

N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 614791) has the molecular formula C14H22F7NO and a molecular weight of 353.32 g/mol. Its IUPAC name is N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-decyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID614791
Molecular FormulaC14H22F7NO
Molecular Weight353.32 g/mol
Exact Mass353.16
IUPAC NameN-decyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO/c1-2-3-4-5-6-7-8-9-10-22-11(23)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23)
InChIKeyMJKJTIXPWVPDKF-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.32
LogP ≤ 55.08
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-Dodecylacetamide
CID 19764
N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 3021063
Acetamide, N-nonyl-
CID 39431
N-Decylacetamide
CID 98880
N-Hexylbutanamide
CID 25112
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
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)-2-iodoacetamide
CID 11181288
N-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)iodoacetamide
CID 11387213
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

Frequently Asked Questions

What is the IUPAC name of N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 614791) is N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide is CCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is MJKJTIXPWVPDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F7NO/c1-2-3-4-5-6-7-8-9-10-22-11(23)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23).
What are the key properties of N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 353.32 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 614791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).