5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide

C8H8ClF8NO — CID 4085451

IUPAC5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H8ClF8NO/c1-3(2)18-4(19)5(10,11)6(12,13)7(14,15)8(9,16)17/h3H,1-2H3,(H,18,19)
InChIKeyNSFDXQAHIRVWHL-UHFFFAOYSA-N
MW321.60 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide

5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide (PubChem CID 4085451) has the molecular formula C8H8ClF8NO and a molecular weight of 321.60 g/mol. Its IUPAC name is 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide
PubChem CID4085451
Molecular FormulaC8H8ClF8NO
Molecular Weight321.60 g/mol
Exact Mass321.02
IUPAC Name5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H8ClF8NO/c1-3(2)18-4(19)5(10,11)6(12,13)7(14,15)8(9,16)17/h3H,1-2H3,(H,18,19)
InChIKeyNSFDXQAHIRVWHL-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide?
The IUPAC name of 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide (CID 4085451) is 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide?
The canonical SMILES for 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide is CC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide?
The InChIKey is NSFDXQAHIRVWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF8NO/c1-3(2)18-4(19)5(10,11)6(12,13)7(14,15)8(9,16)17/h3H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide?
5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide has a molecular weight of 321.60 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,3,3,4,4,5,5-octafluoro-N-propan-2-ylpentanamide is sourced from PubChem (CID 4085451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).