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

C9H13F7N2O — CID 5094771

IUPACN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7N2O/c1-18(2)5-3-4-17-6(19)7(10,11)8(12,13)9(14,15)16/h3-5H2,1-2H3,(H,17,19)
InChIKeyZWLUCJNJSFZMTB-UHFFFAOYSA-N
MW298.20 g/mol
LogP1.89
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 5094771) has the molecular formula C9H13F7N2O and a molecular weight of 298.20 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID5094771
Molecular FormulaC9H13F7N2O
Molecular Weight298.20 g/mol
Exact Mass298.09
IUPAC NameN-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F7N2O/c1-18(2)5-3-4-17-6(19)7(10,11)8(12,13)9(14,15)16/h3-5H2,1-2H3,(H,17,19)
InChIKeyZWLUCJNJSFZMTB-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 51.89
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]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 5094771) is N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide is CN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is ZWLUCJNJSFZMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7N2O/c1-18(2)5-3-4-17-6(19)7(10,11)8(12,13)9(14,15)16/h3-5H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 298.20 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 5094771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).