N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C11H10F13NO3 — CID 3089777

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO3/c1-5(2-26,3-27)25-4(28)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26-27H,2-3H2,1H3,(H,25,28)
InChIKeyLETZAZPVEFLQLW-UHFFFAOYSA-N
MW451.18 g/mol
LogP2.58
Rot. Bonds8

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 3089777) has the molecular formula C11H10F13NO3 and a molecular weight of 451.18 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID3089777
Molecular FormulaC11H10F13NO3
Molecular Weight451.18 g/mol
Exact Mass451.05
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F13NO3/c1-5(2-26,3-27)25-4(28)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26-27H,2-3H2,1H3,(H,25,28)
InChIKeyLETZAZPVEFLQLW-UHFFFAOYSA-N
XLogP2.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.18
LogP ≤ 52.58
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)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 3089777) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is CC(CO)(CO)NC(=O)C(F)(F)C(F)(F)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)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is LETZAZPVEFLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13NO3/c1-5(2-26,3-27)25-4(28)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26-27H,2-3H2,1H3,(H,25,28).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 451.18 g/mol, XLogP of 2.58, 8 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)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 3089777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).