N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide

C13H20F5NO — CID 59297284

IUPACN-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide
SMILESC=C(CC)C(=O)N(CCCC)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H20F5NO/c1-4-6-8-19(11(20)10(3)5-2)9-7-12(14,15)13(16,17)18/h3-9H2,1-2H3
InChIKeyHSNQJZINYCZHRS-UHFFFAOYSA-N
MW301.30 g/mol
LogP4.17
Rot. Bonds8

About N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide

N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide (PubChem CID 59297284) has the molecular formula C13H20F5NO and a molecular weight of 301.30 g/mol. Its IUPAC name is N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide.

Molecular Properties

Compound NameN-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide
PubChem CID59297284
Molecular FormulaC13H20F5NO
Molecular Weight301.30 g/mol
Exact Mass301.15
IUPAC NameN-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide
SMILESC=C(CC)C(=O)N(CCCC)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H20F5NO/c1-4-6-8-19(11(20)10(3)5-2)9-7-12(14,15)13(16,17)18/h3-9H2,1-2H3
InChIKeyHSNQJZINYCZHRS-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide?
The IUPAC name of N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide (CID 59297284) is N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide.
What is the SMILES notation for N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide?
The canonical SMILES for N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide is C=C(CC)C(=O)N(CCCC)CCC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide?
The InChIKey is HSNQJZINYCZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F5NO/c1-4-6-8-19(11(20)10(3)5-2)9-7-12(14,15)13(16,17)18/h3-9H2,1-2H3.
What are the key properties of N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide?
N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide has a molecular weight of 301.30 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylidene-N-(3,3,4,4,4-pentafluorobutyl)butanamide is sourced from PubChem (CID 59297284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).