4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide

C9H10F9NO2 — CID 162347495

IUPAC4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-19(2)5(21)4(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h4,20H,3H2,1-2H3
InChIKeyGQTVMIRCAFNYIA-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.29
Rot. Bonds5

About 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide

4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide (PubChem CID 162347495) has the molecular formula C9H10F9NO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide
PubChem CID162347495
Molecular FormulaC9H10F9NO2
Molecular Weight335.17 g/mol
Exact Mass335.06
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-19(2)5(21)4(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h4,20H,3H2,1-2H3
InChIKeyGQTVMIRCAFNYIA-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide (CID 162347495) is 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide is CN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide?
The InChIKey is GQTVMIRCAFNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2/c1-19(2)5(21)4(20)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h4,20H,3H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide?
4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide has a molecular weight of 335.17 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxy-N,N-dimethylheptanamide is sourced from PubChem (CID 162347495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).