N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

C12H10F15NO3 — CID 141044973

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F15NO3/c1-5(2-29,3-30)28-4(31)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h29-30H,2-3H2,1H3,(H,28,31)
InChIKeyROUUPUYAFQVUJZ-UHFFFAOYSA-N
MW501.19 g/mol
LogP3.22
Rot. Bonds9

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (PubChem CID 141044973) has the molecular formula C12H10F15NO3 and a molecular weight of 501.19 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
PubChem CID141044973
Molecular FormulaC12H10F15NO3
Molecular Weight501.19 g/mol
Exact Mass501.04
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
SMILESCC(CO)(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F15NO3/c1-5(2-29,3-30)28-4(31)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h29-30H,2-3H2,1H3,(H,28,31)
InChIKeyROUUPUYAFQVUJZ-UHFFFAOYSA-N
XLogP3.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.19
LogP ≤ 53.22
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)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (CID 141044973) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is CC(CO)(CO)NC(=O)C(F)(F)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)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
The InChIKey is ROUUPUYAFQVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F15NO3/c1-5(2-29,3-30)28-4(31)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h29-30H,2-3H2,1H3,(H,28,31).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide has a molecular weight of 501.19 g/mol, XLogP of 3.22, 9 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)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is sourced from PubChem (CID 141044973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).