2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

C12H16F3NO — CID 62733373

IUPAC2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESO=C(NC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c13-12(14,15)11(17)16-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,16,17)
InChIKeyPVSIAQZCEVGINF-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.49
Rot. Bonds1

About 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (PubChem CID 62733373) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
PubChem CID62733373
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESO=C(NC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c13-12(14,15)11(17)16-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,16,17)
InChIKeyPVSIAQZCEVGINF-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-ethyl-3-bicyclo[2.2.1]heptanyl)acetamide
CID 4896559
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
Dimethyl(8-tricyclo[5.2.1.02,6]decanyl)azanium;2,2,2-trifluoroacetate
CID 158332311
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,2-trifluoroacetamide
CID 5136313
N-(2,2,2-trifluoroethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392302
2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate
CID 61068976
N-(3,3,3-trifluoropropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 63226340
2,2,2-trifluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 63374752
2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 64592053
N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78875844
N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958316

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (CID 62733373) is 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is O=C(NC1CC2CC1C1CCCC21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The InChIKey is PVSIAQZCEVGINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)11(17)16-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is sourced from PubChem (CID 62733373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).