2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide

C13H19F8NO — CID 59017671

IUPAC2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide
SMILESCCCN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)C(C)CC
InChIInChI=1S/C13H19F8NO/c1-4-6-22(9(23)8(3)5-2)7-11(16,17)13(20,21)12(18,19)10(14)15/h8,10H,4-7H2,1-3H3
InChIKeyRMMVQNJVQBJTSW-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.44
Rot. Bonds9

About 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide

2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide (PubChem CID 59017671) has the molecular formula C13H19F8NO and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide
PubChem CID59017671
Molecular FormulaC13H19F8NO
Molecular Weight357.29 g/mol
Exact Mass357.13
IUPAC Name2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide
SMILESCCCN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)C(C)CC
InChIInChI=1S/C13H19F8NO/c1-4-6-22(9(23)8(3)5-2)7-11(16,17)13(20,21)12(18,19)10(14)15/h8,10H,4-7H2,1-3H3
InChIKeyRMMVQNJVQBJTSW-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide?
The IUPAC name of 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide (CID 59017671) is 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide.
What is the SMILES notation for 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide?
The canonical SMILES for 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide is CCCN(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide?
The InChIKey is RMMVQNJVQBJTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F8NO/c1-4-6-22(9(23)8(3)5-2)7-11(16,17)13(20,21)12(18,19)10(14)15/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide?
2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide has a molecular weight of 357.29 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,3,3,4,4,5,5-octafluoropentyl)-N-propylbutanamide is sourced from PubChem (CID 59017671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).