N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

C15H24F7NO — CID 532977

IUPACN-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SMILESCCCCCCCCCCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F7NO/c1-3-4-5-6-7-8-9-10-11-23(2)12(24)13(16,17)14(18,19)15(20,21)22/h3-11H2,1-2H3
InChIKeyBQYGTXNXEURVEP-UHFFFAOYSA-N
MW367.35 g/mol
LogP5.42
Rot. Bonds11

About N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide

N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide (PubChem CID 532977) has the molecular formula C15H24F7NO and a molecular weight of 367.35 g/mol. Its IUPAC name is N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide.

Molecular Properties

Compound NameN-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
PubChem CID532977
Molecular FormulaC15H24F7NO
Molecular Weight367.35 g/mol
Exact Mass367.17
IUPAC NameN-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
SMILESCCCCCCCCCCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H24F7NO/c1-3-4-5-6-7-8-9-10-11-23(2)12(24)13(16,17)14(18,19)15(20,21)22/h3-11H2,1-2H3
InChIKeyBQYGTXNXEURVEP-UHFFFAOYSA-N
XLogP5.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 55.42
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The IUPAC name of N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide (CID 532977) is N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide.
What is the SMILES notation for N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
The canonical SMILES for N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide is CCCCCCCCCCN(C)C(=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-heptafluoro-N-methylbutanamide?
The InChIKey is BQYGTXNXEURVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F7NO/c1-3-4-5-6-7-8-9-10-11-23(2)12(24)13(16,17)14(18,19)15(20,21)22/h3-11H2,1-2H3.
What are the key properties of N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide?
N-decyl-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide has a molecular weight of 367.35 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 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-heptafluoro-N-methylbutanamide is sourced from PubChem (CID 532977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).