2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide

C6H4F9NO — CID 4086334

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F9NO/c1-16-2(17)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3,(H,16,17)
InChIKeyHDDQYUSNJSEGHK-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.20
Rot. Bonds3

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide (PubChem CID 4086334) has the molecular formula C6H4F9NO and a molecular weight of 277.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide
PubChem CID4086334
Molecular FormulaC6H4F9NO
Molecular Weight277.09 g/mol
Exact Mass277.01
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F9NO/c1-16-2(17)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3,(H,16,17)
InChIKeyHDDQYUSNJSEGHK-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide (CID 4086334) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide is CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide?
The InChIKey is HDDQYUSNJSEGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F9NO/c1-16-2(17)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3,(H,16,17).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide has a molecular weight of 277.09 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-methylpentanamide is sourced from PubChem (CID 4086334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).