N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide

C11H13F11N2O — CID 139596925

IUPACN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11N2O/c1-24(2)5-3-4-23-6(25)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h3-5H2,1-2H3,(H,23,25)
InChIKeyRKCBASOCGZNLGO-UHFFFAOYSA-N
MW398.22 g/mol
LogP3.16
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide

N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide (PubChem CID 139596925) has the molecular formula C11H13F11N2O and a molecular weight of 398.22 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide
PubChem CID139596925
Molecular FormulaC11H13F11N2O
Molecular Weight398.22 g/mol
Exact Mass398.09
IUPAC NameN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F11N2O/c1-24(2)5-3-4-23-6(25)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h3-5H2,1-2H3,(H,23,25)
InChIKeyRKCBASOCGZNLGO-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide (CID 139596925) is N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide is CN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
The InChIKey is RKCBASOCGZNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11N2O/c1-24(2)5-3-4-23-6(25)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h3-5H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide?
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide has a molecular weight of 398.22 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanamide is sourced from PubChem (CID 139596925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).