2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide

C9H10F9NO2 — CID 5057745

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-5(2,3-20)19-4(21)6(10,11)7(12,13)8(14,15)9(16,17)18/h20H,3H2,1-2H3,(H,19,21)
InChIKeyLWSGMZRFNDMQCT-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.34
Rot. Bonds5

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide (PubChem CID 5057745) has the molecular formula C9H10F9NO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
PubChem CID5057745
Molecular FormulaC9H10F9NO2
Molecular Weight335.17 g/mol
Exact Mass335.06
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
SMILESCC(C)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2/c1-5(2,3-20)19-4(21)6(10,11)7(12,13)8(14,15)9(16,17)18/h20H,3H2,1-2H3,(H,19,21)
InChIKeyLWSGMZRFNDMQCT-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
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 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide (CID 5057745) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide is CC(C)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide?
The InChIKey is LWSGMZRFNDMQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2/c1-5(2,3-20)19-4(21)6(10,11)7(12,13)8(14,15)9(16,17)18/h20H,3H2,1-2H3,(H,19,21).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide has a molecular weight of 335.17 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide is sourced from PubChem (CID 5057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).