N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide

C13H16F5NO — CID 91741465

IUPACN-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)11(20)19-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,19,20)
InChIKeyXQQFDPHMUKCPLG-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.12
Rot. Bonds2

About N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide

N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91741465) has the molecular formula C13H16F5NO and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID91741465
Molecular FormulaC13H16F5NO
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC NameN-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)11(20)19-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,19,20)
InChIKeyXQQFDPHMUKCPLG-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide (CID 91741465) is N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide is O=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is XQQFDPHMUKCPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)11(20)19-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2,(H,19,20).
What are the key properties of N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 297.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).