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

C15H17FO — CID 61365935

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CC2CCC1C2
InChIInChI=1S/C15H17FO/c16-13-3-1-2-10(7-13)9-15(17)14-8-11-4-5-12(14)6-11/h1-3,7,11-12,14H,4-6,8-9H2
InChIKeyUAMDJECIUPBERH-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.37
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone (PubChem CID 61365935) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
PubChem CID61365935
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CC2CCC1C2
InChIInChI=1S/C15H17FO/c16-13-3-1-2-10(7-13)9-15(17)14-8-11-4-5-12(14)6-11/h1-3,7,11-12,14H,4-6,8-9H2
InChIKeyUAMDJECIUPBERH-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanone
CID 71582377
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone (CID 61365935) is 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is UAMDJECIUPBERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c16-13-3-1-2-10(7-13)9-15(17)14-8-11-4-5-12(14)6-11/h1-3,7,11-12,14H,4-6,8-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone?
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 232.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 61365935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).