N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide

C13H16F5NO — CID 102055809

IUPACN-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)10(20)19-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,19,20)
InChIKeyPJHATOTUXBRXHU-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.27
Rot. Bonds2

About N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide

N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 102055809) has the molecular formula C13H16F5NO and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID102055809
Molecular FormulaC13H16F5NO
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC NameN-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)10(20)19-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,19,20)
InChIKeyPJHATOTUXBRXHU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantyl)-2,2-difluoro-2-sulfamoylacetamide
CID 129295001
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
N-(1-adamantyl)-2-methoxy-2-methylpropanamide
CID 12839089
[1-(1-adamantylamino)-2-methyl-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 101333972
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
1-(1-adamantyl)-3-(dimethyl-λ4-sulfanylidene)urea
CID 176801954
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199
2-(1-adamantylcarbamoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonic acid
CID 134383328
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948
2-(1-adamantylcarbamoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070515
N,2-bis(1-adamantyl)acetamide
CID 3906383

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide (CID 102055809) is N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide is O=C(NC12CC3CC(CC(C3)C1)C2)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is PJHATOTUXBRXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5NO/c14-12(15,13(16,17)18)10(20)19-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide?
N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 297.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 102055809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).