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

C13H17F4NO — CID 103732393

IUPACN-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)F
InChIInChI=1S/C13H17F4NO/c14-11(15)13(16,17)12(19)18-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2,(H,18,19)
InChIKeyYZACGNQTMMDFNQ-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.83
Rot. Bonds3

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

N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732393) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103732393
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC NameN-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)F
InChIInChI=1S/C13H17F4NO/c14-11(15)13(16,17)12(19)18-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2,(H,18,19)
InChIKeyYZACGNQTMMDFNQ-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.83
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,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
CID 8990556
N-(2-adamantyl)-2-hydroxy-2-(trifluoromethyl)butanamide
CID 10638282
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
2,2,3,3-tetrafluoro-N-piperidin-3-ylpropanamide
CID 103805389
N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 106441937
N-(2-adamantyl)-3-methylbutanamide
CID 959856
N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide
CID 59658227
N-(2-adamantyl)-2-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 71246911
N-(2-adamantyl)-3-oxobutanamide
CID 879553
2,2,3,3-tetrafluoro-N-(2-propan-2-ylcyclohexyl)propanamide
CID 103733541
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776
N-(2-adamantyl)-2-bromobutanamide
CID 62856671

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide (CID 103732393) is N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide is O=C(NC1C2CC3CC(C2)CC1C3)C(F)(F)C(F)F.
What is the InChIKey of N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is YZACGNQTMMDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c14-11(15)13(16,17)12(19)18-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2,(H,18,19).
What are the key properties of N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-adamantyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 279.28 g/mol, XLogP of 2.83, 3 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-tetrafluoropropanamide is sourced from PubChem (CID 103732393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).