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

C9H11F8NO3 — CID 3089775

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H11F8NO3/c1-6(2-19,3-20)18-5(21)8(14,15)9(16,17)7(12,13)4(10)11/h4,19-20H,2-3H2,1H3,(H,18,21)
InChIKeyLBOAGDAUXZMRFI-UHFFFAOYSA-N
MW333.18 g/mol
LogP1.02
Rot. Bonds7

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

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide (PubChem CID 3089775) has the molecular formula C9H11F8NO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide
PubChem CID3089775
Molecular FormulaC9H11F8NO3
Molecular Weight333.18 g/mol
Exact Mass333.06
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H11F8NO3/c1-6(2-19,3-20)18-5(21)8(14,15)9(16,17)7(12,13)4(10)11/h4,19-20H,2-3H2,1H3,(H,18,21)
InChIKeyLBOAGDAUXZMRFI-UHFFFAOYSA-N
XLogP1.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 51.02
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-octafluoropentanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide (CID 3089775) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide is CC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide?
The InChIKey is LBOAGDAUXZMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO3/c1-6(2-19,3-20)18-5(21)8(14,15)9(16,17)7(12,13)4(10)11/h4,19-20H,2-3H2,1H3,(H,18,21).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5-octafluoropentanamide has a molecular weight of 333.18 g/mol, XLogP of 1.02, 7 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-octafluoropentanamide is sourced from PubChem (CID 3089775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).