4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide

C10H12F9NO2 — CID 162348275

IUPAC4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide
SMILESCN(C)C(=O)C(C)(O)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F9NO2/c1-6(22,5(21)20(2)3)4-7(11,9(14,15)16)8(12,13)10(17,18)19/h22H,4H2,1-3H3
InChIKeyXJHQZASDTBCWEA-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.68
Rot. Bonds4

About 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide

4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide (PubChem CID 162348275) has the molecular formula C10H12F9NO2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide.

Molecular Properties

Compound Name4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide
PubChem CID162348275
Molecular FormulaC10H12F9NO2
Molecular Weight349.19 g/mol
Exact Mass349.07
IUPAC Name4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide
SMILESCN(C)C(=O)C(C)(O)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F9NO2/c1-6(22,5(21)20(2)3)4-7(11,9(14,15)16)8(12,13)10(17,18)19/h22H,4H2,1-3H3
InChIKeyXJHQZASDTBCWEA-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.68
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 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide?
The IUPAC name of 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide (CID 162348275) is 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide.
What is the SMILES notation for 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide?
The canonical SMILES for 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide is CN(C)C(=O)C(C)(O)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide?
The InChIKey is XJHQZASDTBCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F9NO2/c1-6(22,5(21)20(2)3)4-7(11,9(14,15)16)8(12,13)10(17,18)19/h22H,4H2,1-3H3.
What are the key properties of 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide?
4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide has a molecular weight of 349.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide is sourced from PubChem (CID 162348275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).