4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide

C9H12F7NO2 — CID 162347255

IUPAC4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide
SMILESCN(C)C(=O)C(C)(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO2/c1-6(19,5(18)17(2)3)4-7(10,11)8(12,13)9(14,15)16/h19H,4H2,1-3H3
InChIKeyIKCVHSOJZCNRML-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.05
Rot. Bonds4

About 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide

4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide (PubChem CID 162347255) has the molecular formula C9H12F7NO2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide
PubChem CID162347255
Molecular FormulaC9H12F7NO2
Molecular Weight299.19 g/mol
Exact Mass299.08
IUPAC Name4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide
SMILESCN(C)C(=O)C(C)(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO2/c1-6(19,5(18)17(2)3)4-7(10,11)8(12,13)9(14,15)16/h19H,4H2,1-3H3
InChIKeyIKCVHSOJZCNRML-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
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 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide (CID 162347255) is 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide is CN(C)C(=O)C(C)(O)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide?
The InChIKey is IKCVHSOJZCNRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F7NO2/c1-6(19,5(18)17(2)3)4-7(10,11)8(12,13)9(14,15)16/h19H,4H2,1-3H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide?
4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide has a molecular weight of 299.19 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide is sourced from PubChem (CID 162347255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).