2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide

C10H14F3NO3S — CID 155621422

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO3S/c11-10(12,13)18(16,17)14-9(15)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,14,15)
InChIKeyCBGGIVQBTQESDU-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 155621422) has the molecular formula C10H14F3NO3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
PubChem CID155621422
Molecular FormulaC10H14F3NO3S
Molecular Weight285.29 g/mol
Exact Mass285.06
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO3S/c11-10(12,13)18(16,17)14-9(15)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,14,15)
InChIKeyCBGGIVQBTQESDU-UHFFFAOYSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 103311521
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103895397
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate
CID 62734672
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510
2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
CID 79848948
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide (CID 155621422) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide is O=C(CC1CC2CCC1C2)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is CBGGIVQBTQESDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S/c11-10(12,13)18(16,17)14-9(15)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,14,15).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 285.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 155621422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).