(5-bromo-2-fluorophenyl)-cyclohexylmethanone

C13H14BrFO — CID 79742820

IUPAC(5-bromo-2-fluorophenyl)-cyclohexylmethanone
SMILESO=C(c1cc(Br)ccc1F)C1CCCCC1
InChIInChI=1S/C13H14BrFO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyWESBKGAJQRACHX-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.35
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-cyclohexylmethanone

(5-bromo-2-fluorophenyl)-cyclohexylmethanone (PubChem CID 79742820) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-cyclohexylmethanone
PubChem CID79742820
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name(5-bromo-2-fluorophenyl)-cyclohexylmethanone
SMILESO=C(c1cc(Br)ccc1F)C1CCCCC1
InChIInChI=1S/C13H14BrFO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyWESBKGAJQRACHX-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
CID 116568928
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79742823
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanone
CID 107538146

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-cyclohexylmethanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-cyclohexylmethanone (CID 79742820) is (5-bromo-2-fluorophenyl)-cyclohexylmethanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-cyclohexylmethanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-cyclohexylmethanone is O=C(c1cc(Br)ccc1F)C1CCCCC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-cyclohexylmethanone?
The InChIKey is WESBKGAJQRACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of (5-bromo-2-fluorophenyl)-cyclohexylmethanone?
(5-bromo-2-fluorophenyl)-cyclohexylmethanone has a molecular weight of 285.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-cyclohexylmethanone is sourced from PubChem (CID 79742820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).