4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide

C10H10F11NO2 — CID 162347708

IUPAC4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide
SMILESCN(C)C(=O)C(O)C(C(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F11NO2/c1-22(2)6(24)4(23)3(8(14,15)16)5(11)7(12,13)9(17,18)10(19,20)21/h3-5,23H,1-2H3
InChIKeyUBBSKNMCWPHAJT-UHFFFAOYSA-N
MW385.17 g/mol
LogP2.79
Rot. Bonds5

About 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide

4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide (PubChem CID 162347708) has the molecular formula C10H10F11NO2 and a molecular weight of 385.17 g/mol. Its IUPAC name is 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide.

Molecular Properties

Compound Name4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide
PubChem CID162347708
Molecular FormulaC10H10F11NO2
Molecular Weight385.17 g/mol
Exact Mass385.05
IUPAC Name4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide
SMILESCN(C)C(=O)C(O)C(C(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F11NO2/c1-22(2)6(24)4(23)3(8(14,15)16)5(11)7(12,13)9(17,18)10(19,20)21/h3-5,23H,1-2H3
InChIKeyUBBSKNMCWPHAJT-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 52.79
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 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide?
The IUPAC name of 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide (CID 162347708) is 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide.
What is the SMILES notation for 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide?
The canonical SMILES for 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide is CN(C)C(=O)C(O)C(C(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide?
The InChIKey is UBBSKNMCWPHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F11NO2/c1-22(2)6(24)4(23)3(8(14,15)16)5(11)7(12,13)9(17,18)10(19,20)21/h3-5,23H,1-2H3.
What are the key properties of 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide?
4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide has a molecular weight of 385.17 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,6,6,7,7,7-octafluoro-2-hydroxy-N,N-dimethyl-3-(trifluoromethyl)heptanamide is sourced from PubChem (CID 162347708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).