2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone

C16H17F3O — CID 79558524

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CC2CCC1C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3O/c17-16(18,19)14-3-1-2-12(8-14)15(20)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13H,4-7,9H2
InChIKeyDGZOURDCWQLOIK-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.71
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 79558524) has the molecular formula C16H17F3O and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID79558524
Molecular FormulaC16H17F3O
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CC2CCC1C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3O/c17-16(18,19)14-3-1-2-12(8-14)15(20)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13H,4-7,9H2
InChIKeyDGZOURDCWQLOIK-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 98685848
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 115784998
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291236
1-(2-bicyclo[2.2.1]heptanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63688120
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 116582339
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 65139426
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379569
[2-(3-bromophenyl)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23856170
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 115784988

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 79558524) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(CC1CC2CCC1C2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DGZOURDCWQLOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O/c17-16(18,19)14-3-1-2-12(8-14)15(20)9-13-7-10-4-5-11(13)6-10/h1-3,8,10-11,13H,4-7,9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 282.30 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 79558524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).