3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one

C16H20BrFO2 — CID 116750878

IUPAC3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C16H20BrFO2/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(18)7-8-14(12)17/h7-9,11,16H,2-6,10H2,1H3
InChIKeyFPJARNVCURJCNE-UHFFFAOYSA-N
MW343.24 g/mol
LogP4.30
Rot. Bonds5

About 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one

3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one (PubChem CID 116750878) has the molecular formula C16H20BrFO2 and a molecular weight of 343.24 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
PubChem CID116750878
Molecular FormulaC16H20BrFO2
Molecular Weight343.24 g/mol
Exact Mass342.06
IUPAC Name3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
SMILESCOC(C(=O)Cc1cc(F)ccc1Br)C1CCCCC1
InChIInChI=1S/C16H20BrFO2/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(18)7-8-14(12)17/h7-9,11,16H,2-6,10H2,1H3
InChIKeyFPJARNVCURJCNE-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
CID 102617821
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)-1-methoxypropan-2-one
CID 114347373
3-(4-bromothiophen-2-yl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116751115
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 116751104
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
CID 116709160
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-one
CID 114973628
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
CID 116750876
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
1-(2-bromo-5-fluorophenyl)-3-ethoxy-4-methylpentan-2-one
CID 116708626

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one (CID 116750878) is 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one is COC(C(=O)Cc1cc(F)ccc1Br)C1CCCCC1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one?
The InChIKey is FPJARNVCURJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFO2/c1-20-16(11-5-3-2-4-6-11)15(19)10-12-9-13(18)7-8-14(12)17/h7-9,11,16H,2-6,10H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one?
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one has a molecular weight of 343.24 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one is sourced from PubChem (CID 116750878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).