N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C11H10F13NO — CID 4991892

IUPACN-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO/c1-2-3-4-25-5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3,(H,25,26)
InChIKeyGHDJJZIELAHLLV-UHFFFAOYSA-N
MW419.18 g/mol
LogP4.64
Rot. Bonds8

About N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 4991892) has the molecular formula C11H10F13NO and a molecular weight of 419.18 g/mol. Its IUPAC name is N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID4991892
Molecular FormulaC11H10F13NO
Molecular Weight419.18 g/mol
Exact Mass419.06
IUPAC NameN-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO/c1-2-3-4-25-5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3,(H,25,26)
InChIKeyGHDJJZIELAHLLV-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.18
LogP ≤ 54.64
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 4991892) is N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is GHDJJZIELAHLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13NO/c1-2-3-4-25-5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3,(H,25,26).
What are the key properties of N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 419.18 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 4991892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).