2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

C13H17F4NO — CID 103732570

IUPAC2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESO=C(NC1CC2CC1C1CCCC21)C(F)(F)C(F)F
InChIInChI=1S/C13H17F4NO/c14-11(15)13(16,17)12(19)18-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2,(H,18,19)
InChIKeyXXJYVRGBTNAHNV-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.83
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (PubChem CID 103732570) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
PubChem CID103732570
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESO=C(NC1CC2CC1C1CCCC21)C(F)(F)C(F)F
InChIInChI=1S/C13H17F4NO/c14-11(15)13(16,17)12(19)18-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2,(H,18,19)
InChIKeyXXJYVRGBTNAHNV-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

Acetamide, N-(octahydro-4,7-methano-1H-inden-5-yl)-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
CID 3056050
Cyclopropanecarboxamide, N-(octahydro-4,7-methano-1H-inden-5-yl)-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
CID 3056052
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3519985
2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 62733373
N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958316
2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 79796748
2,2-difluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 103514962
2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 103515254
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731894
3-amino-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106291510
2,2,3,3-tetrafluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 108059136
2,2,3,3-tetrafluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 108059196

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (CID 103732570) is 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is O=C(NC1CC2CC1C1CCCC21)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The InChIKey is XXJYVRGBTNAHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c14-11(15)13(16,17)12(19)18-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2,(H,18,19).
What are the key properties of 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide 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 2,2,3,3-tetrafluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is sourced from PubChem (CID 103732570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).