1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone

C14H14BrFO — CID 115786828

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)C1C2CCCC21
InChIInChI=1S/C14H14BrFO/c15-9-4-8(5-10(16)7-9)6-13(17)14-11-2-1-3-12(11)14/h4-5,7,11-12,14H,1-3,6H2
InChIKeyBGPQFKPJDKQGIO-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.75
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone (PubChem CID 115786828) has the molecular formula C14H14BrFO and a molecular weight of 297.17 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
PubChem CID115786828
Molecular FormulaC14H14BrFO
Molecular Weight297.17 g/mol
Exact Mass296.02
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)C1C2CCCC21
InChIInChI=1S/C14H14BrFO/c15-9-4-8(5-10(16)7-9)6-13(17)14-11-2-1-3-12(11)14/h4-5,7,11-12,14H,1-3,6H2
InChIKeyBGPQFKPJDKQGIO-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455829
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796953
2-(3-bromo-5-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561991
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340107
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
1-(6-bicyclo[3.1.0]hexanyl)-2-(furan-3-yl)ethanone
CID 115795935
1-(3-bromo-5-fluorophenyl)-3-methylsulfanylpropan-2-one
CID 79701369

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone (CID 115786828) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone is O=C(Cc1cc(F)cc(Br)c1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone?
The InChIKey is BGPQFKPJDKQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFO/c15-9-4-8(5-10(16)7-9)6-13(17)14-11-2-1-3-12(11)14/h4-5,7,11-12,14H,1-3,6H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone?
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone has a molecular weight of 297.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone is sourced from PubChem (CID 115786828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).