1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone

C12H12BrFO2 — CID 116708933

IUPAC1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C12H12BrFO2/c1-16-12(7-2-3-7)11(15)9-6-8(13)4-5-10(9)14/h4-7,12H,2-3H2,1H3
InChIKeyFOXAYJHOIIJNSK-UHFFFAOYSA-N
MW287.13 g/mol
LogP3.20
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone

1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone (PubChem CID 116708933) has the molecular formula C12H12BrFO2 and a molecular weight of 287.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
PubChem CID116708933
Molecular FormulaC12H12BrFO2
Molecular Weight287.13 g/mol
Exact Mass286.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C12H12BrFO2/c1-16-12(7-2-3-7)11(15)9-6-8(13)4-5-10(9)14/h4-7,12H,2-3H2,1H3
InChIKeyFOXAYJHOIIJNSK-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-2-cyclopropylacetic acid
CID 114671590
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79742823
1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone
CID 116708973
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
3-(5-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)-3-oxopropanenitrile
CID 61262742
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
CID 157010623
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
methyl 1-(5-bromo-2-fluorobenzoyl)cyclopropane-1-carboxylate
CID 116922178
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
1-(5-bromo-2-fluorophenyl)prop-2-en-1-one
CID 83643848

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone (CID 116708933) is 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone is COC(C(=O)c1cc(Br)ccc1F)C1CC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone?
The InChIKey is FOXAYJHOIIJNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO2/c1-16-12(7-2-3-7)11(15)9-6-8(13)4-5-10(9)14/h4-7,12H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone?
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone has a molecular weight of 287.13 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone is sourced from PubChem (CID 116708933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).