4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide

C12H10F15NO2 — CID 162347717

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F15NO2/c1-28(2)5(30)4(29)3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4,29H,3H2,1-2H3
InChIKeyXYQUMLKHAOABNO-UHFFFAOYSA-N
MW485.19 g/mol
LogP4.20
Rot. Bonds8

About 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide (PubChem CID 162347717) has the molecular formula C12H10F15NO2 and a molecular weight of 485.19 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide
PubChem CID162347717
Molecular FormulaC12H10F15NO2
Molecular Weight485.19 g/mol
Exact Mass485.05
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide
SMILESCN(C)C(=O)C(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F15NO2/c1-28(2)5(30)4(29)3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4,29H,3H2,1-2H3
InChIKeyXYQUMLKHAOABNO-UHFFFAOYSA-N
XLogP4.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
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 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide (CID 162347717) is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide is CN(C)C(=O)C(O)CC(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 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide?
The InChIKey is XYQUMLKHAOABNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F15NO2/c1-28(2)5(30)4(29)3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h4,29H,3H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide?
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide has a molecular weight of 485.19 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-hydroxy-N,N-dimethyldecanamide is sourced from PubChem (CID 162347717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).