2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide

C11H11F13N2O — CID 54259834

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide
SMILESCNCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F13N2O/c1-25-3-2-4-26-5(27)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,2-4H2,1H3,(H,26,27)
InChIKeyRCSIEKRISMSWFR-UHFFFAOYSA-N
MW434.20 g/mol
LogP3.45
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide (PubChem CID 54259834) has the molecular formula C11H11F13N2O and a molecular weight of 434.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide
PubChem CID54259834
Molecular FormulaC11H11F13N2O
Molecular Weight434.20 g/mol
Exact Mass434.07
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide
SMILESCNCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F13N2O/c1-25-3-2-4-26-5(27)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,2-4H2,1H3,(H,26,27)
InChIKeyRCSIEKRISMSWFR-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
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 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide (CID 54259834) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide is CNCCCNC(=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 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide?
The InChIKey is RCSIEKRISMSWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F13N2O/c1-25-3-2-4-26-5(27)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,2-4H2,1H3,(H,26,27).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide has a molecular weight of 434.20 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[3-(methylamino)propyl]heptanamide is sourced from PubChem (CID 54259834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).