(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone

C16H20BrFO — CID 79742823

IUPAC(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H20BrFO/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h7-12H,3-6H2,1-2H3
InChIKeyKPIJSSXICXVVPD-UHFFFAOYSA-N
MW327.24 g/mol
LogP5.23
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone

(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 79742823) has the molecular formula C16H20BrFO and a molecular weight of 327.24 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
PubChem CID79742823
Molecular FormulaC16H20BrFO
Molecular Weight327.24 g/mol
Exact Mass326.07
IUPAC Name(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCC(C)C1CCC(C(=O)c2cc(Br)ccc2F)CC1
InChIInChI=1S/C16H20BrFO/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h7-12H,3-6H2,1-2H3
InChIKeyKPIJSSXICXVVPD-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.24
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423697
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methoxyethanone
CID 116708933
(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
CID 116568928
(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone (CID 79742823) is (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone is CC(C)C1CCC(C(=O)c2cc(Br)ccc2F)CC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is KPIJSSXICXVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFO/c1-10(2)11-3-5-12(6-4-11)16(19)14-9-13(17)7-8-15(14)18/h7-12H,3-6H2,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone?
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 327.24 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 79742823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).