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

C9H10F9NO2 — CID 162347936

IUPAC4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide
SMILESCN(C)C(=O)C(O)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-19(2)5(21)4(20)3-6(10,8(13,14)15)7(11,12)9(16,17)18/h4,20H,3H2,1-2H3
InChIKeyOQNVCWCZXKUULA-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.29
Rot. Bonds4

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

4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide (PubChem CID 162347936) has the molecular formula C9H10F9NO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide.

Molecular Properties

Compound Name4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide
PubChem CID162347936
Molecular FormulaC9H10F9NO2
Molecular Weight335.17 g/mol
Exact Mass335.06
IUPAC Name4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide
SMILESCN(C)C(=O)C(O)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-19(2)5(21)4(20)3-6(10,8(13,14)15)7(11,12)9(16,17)18/h4,20H,3H2,1-2H3
InChIKeyOQNVCWCZXKUULA-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N,2-trimethylhexanamide
CID 162347255
4,4,5,5,5-pentafluoro-2-hydroxy-N,N-dimethylpentanamide
CID 162347369
4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide
CID 162347495
4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide
CID 162347505
4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide
CID 162347708
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide
CID 162347717
4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxy-N,N-dimethyloctanamide
CID 162347826
2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide
CID 162347879
4,5,5,5-tetrafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)pentanamide
CID 162348121
4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N,2-trimethyl-4-(trifluoromethyl)hexanamide
CID 162348275
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxy-N,N-dimethylnonanamide
CID 162348350
2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propanamide
CID 162348488

Frequently Asked Questions

What is the IUPAC name of 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide?
The IUPAC name of 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide (CID 162347936) is 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide.
What is the SMILES notation for 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide?
The canonical SMILES for 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide is CN(C)C(=O)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-dimethyl-4-(trifluoromethyl)hexanamide?
The InChIKey is OQNVCWCZXKUULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2/c1-19(2)5(21)4(20)3-6(10,8(13,14)15)7(11,12)9(16,17)18/h4,20H,3H2,1-2H3.
What are the key properties of 4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide?
4,5,5,6,6,6-hexafluoro-2-hydroxy-N,N-dimethyl-4-(trifluoromethyl)hexanamide has a molecular weight of 335.17 g/mol, XLogP of 2.29, 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-dimethyl-4-(trifluoromethyl)hexanamide is sourced from PubChem (CID 162347936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).