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

C8H10F7NO2 — CID 162347505

IUPAC4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c1-16(2)5(18)4(17)3-6(9,10)7(11,12)8(13,14)15/h4,17H,3H2,1-2H3
InChIKeyNRENWRPQQAQDDK-UHFFFAOYSA-N
MW285.16 g/mol
LogP1.66
Rot. Bonds4

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

4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide (PubChem CID 162347505) has the molecular formula C8H10F7NO2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide
PubChem CID162347505
Molecular FormulaC8H10F7NO2
Molecular Weight285.16 g/mol
Exact Mass285.06
IUPAC Name4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c1-16(2)5(18)4(17)3-6(9,10)7(11,12)8(13,14)15/h4,17H,3H2,1-2H3
InChIKeyNRENWRPQQAQDDK-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.66
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-dimethylhexanamide?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide (CID 162347505) is 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide is CN(C)C(=O)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-dimethylhexanamide?
The InChIKey is NRENWRPQQAQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO2/c1-16(2)5(18)4(17)3-6(9,10)7(11,12)8(13,14)15/h4,17H,3H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide?
4,4,5,5,6,6,6-heptafluoro-2-hydroxy-N,N-dimethylhexanamide has a molecular weight of 285.16 g/mol, XLogP of 1.66, 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-dimethylhexanamide is sourced from PubChem (CID 162347505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).