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

C10H13F9N2O — CID 4185686

IUPACN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9N2O/c1-21(2)5-3-4-20-6(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h3-5H2,1-2H3,(H,20,22)
InChIKeyLSTORYFJUHQATM-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.52
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 4185686) has the molecular formula C10H13F9N2O and a molecular weight of 348.21 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID4185686
Molecular FormulaC10H13F9N2O
Molecular Weight348.21 g/mol
Exact Mass348.09
IUPAC NameN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9N2O/c1-21(2)5-3-4-20-6(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h3-5H2,1-2H3,(H,20,22)
InChIKeyLSTORYFJUHQATM-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.52
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]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 4185686) is N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is CN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is LSTORYFJUHQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9N2O/c1-21(2)5-3-4-20-6(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h3-5H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 348.21 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 4185686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).