2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide

C11H14F9NO3 — CID 90147942

IUPAC2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide
SMILESCC(C)(CO)C(O)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO3/c1-7(2,4-22)5(23)6(24)21-3-8(12,13)9(14,15)10(16,17)11(18,19)20/h5,22-23H,3-4H2,1-2H3,(H,21,24)
InChIKeyBKGWPUWGHAHNLI-UHFFFAOYSA-N
MW379.22 g/mol
LogP1.95
Rot. Bonds7

About 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide

2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide (PubChem CID 90147942) has the molecular formula C11H14F9NO3 and a molecular weight of 379.22 g/mol. Its IUPAC name is 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide.

Molecular Properties

Compound Name2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide
PubChem CID90147942
Molecular FormulaC11H14F9NO3
Molecular Weight379.22 g/mol
Exact Mass379.08
IUPAC Name2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide
SMILESCC(C)(CO)C(O)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F9NO3/c1-7(2,4-22)5(23)6(24)21-3-8(12,13)9(14,15)10(16,17)11(18,19)20/h5,22-23H,3-4H2,1-2H3,(H,21,24)
InChIKeyBKGWPUWGHAHNLI-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide?
The IUPAC name of 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide (CID 90147942) is 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide.
What is the SMILES notation for 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide?
The canonical SMILES for 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide is CC(C)(CO)C(O)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide?
The InChIKey is BKGWPUWGHAHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO3/c1-7(2,4-22)5(23)6(24)21-3-8(12,13)9(14,15)10(16,17)11(18,19)20/h5,22-23H,3-4H2,1-2H3,(H,21,24).
What are the key properties of 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide?
2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide has a molecular weight of 379.22 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide is sourced from PubChem (CID 90147942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).