N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C9H10F9NO3 — CID 3411701

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO3/c1-5(2-20,3-21)19-4(22)6(10,11)7(12,13)8(14,15)9(16,17)18/h20-21H,2-3H2,1H3,(H,19,22)
InChIKeyROANPHXIHMCCIQ-UHFFFAOYSA-N
MW351.17 g/mol
LogP1.31
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 3411701) has the molecular formula C9H10F9NO3 and a molecular weight of 351.17 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID3411701
Molecular FormulaC9H10F9NO3
Molecular Weight351.17 g/mol
Exact Mass351.05
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO3/c1-5(2-20,3-21)19-4(22)6(10,11)7(12,13)8(14,15)9(16,17)18/h20-21H,2-3H2,1H3,(H,19,22)
InChIKeyROANPHXIHMCCIQ-UHFFFAOYSA-N
XLogP1.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 51.31
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 N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 3411701) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is CC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is ROANPHXIHMCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO3/c1-5(2-20,3-21)19-4(22)6(10,11)7(12,13)8(14,15)9(16,17)18/h20-21H,2-3H2,1H3,(H,19,22).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 351.17 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 3411701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).