2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide

C7H6F9NO — CID 139987785

IUPAC2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H6F9NO/c1-17-3(18)5(11,12)7(15,16)6(13,14)4(9,10)2-8/h2H2,1H3,(H,17,18)
InChIKeyLQCHNQVNZGMRBX-UHFFFAOYSA-N
MW291.11 g/mol
LogP2.24
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide

2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide (PubChem CID 139987785) has the molecular formula C7H6F9NO and a molecular weight of 291.11 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide
PubChem CID139987785
Molecular FormulaC7H6F9NO
Molecular Weight291.11 g/mol
Exact Mass291.03
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide
SMILESCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H6F9NO/c1-17-3(18)5(11,12)7(15,16)6(13,14)4(9,10)2-8/h2H2,1H3,(H,17,18)
InChIKeyLQCHNQVNZGMRBX-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 52.24
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 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide (CID 139987785) is 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide is CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide?
The InChIKey is LQCHNQVNZGMRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F9NO/c1-17-3(18)5(11,12)7(15,16)6(13,14)4(9,10)2-8/h2H2,1H3,(H,17,18).
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide?
2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide has a molecular weight of 291.11 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonafluoro-N-methylhexanamide is sourced from PubChem (CID 139987785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).