N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C8H9F7N2O2 — CID 18409432

IUPACN-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(N)=O
InChIInChI=1S/C8H9F7N2O2/c1-3(4(16)18)2-17-5(19)6(9,10)7(11,12)8(13,14)15/h3H,2H2,1H3,(H2,16,18)(H,17,19)
InChIKeyQJKLJHSTLHEIJG-UHFFFAOYSA-N
MW298.16 g/mol
LogP1.06
Rot. Bonds5

About N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 18409432) has the molecular formula C8H9F7N2O2 and a molecular weight of 298.16 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID18409432
Molecular FormulaC8H9F7N2O2
Molecular Weight298.16 g/mol
Exact Mass298.06
IUPAC NameN-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(N)=O
InChIInChI=1S/C8H9F7N2O2/c1-3(4(16)18)2-17-5(19)6(9,10)7(11,12)8(13,14)15/h3H,2H2,1H3,(H2,16,18)(H,17,19)
InChIKeyQJKLJHSTLHEIJG-UHFFFAOYSA-N
XLogP1.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 18409432) is N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide is CC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(N)=O.
What is the InChIKey of N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is QJKLJHSTLHEIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7N2O2/c1-3(4(16)18)2-17-5(19)6(9,10)7(11,12)8(13,14)15/h3H,2H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 298.16 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 18409432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).