(2-bromo-4-fluorophenyl)-cyclohexylmethanone

C13H14BrFO — CID 114962193

IUPAC(2-bromo-4-fluorophenyl)-cyclohexylmethanone
SMILESO=C(c1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C13H14BrFO/c14-12-8-10(15)6-7-11(12)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyJJFWKHNULIJSHX-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.35
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-cyclohexylmethanone

(2-bromo-4-fluorophenyl)-cyclohexylmethanone (PubChem CID 114962193) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-cyclohexylmethanone
PubChem CID114962193
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name(2-bromo-4-fluorophenyl)-cyclohexylmethanone
SMILESO=C(c1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C13H14BrFO/c14-12-8-10(15)6-7-11(12)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyJJFWKHNULIJSHX-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-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
(2-bromo-4-fluorophenyl)-(thian-2-yl)methanone
CID 80594695
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
cyclopentyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 146008834
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-cyclohexylmethanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-cyclohexylmethanone (CID 114962193) is (2-bromo-4-fluorophenyl)-cyclohexylmethanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-cyclohexylmethanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-cyclohexylmethanone is O=C(c1ccc(F)cc1Br)C1CCCCC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-cyclohexylmethanone?
The InChIKey is JJFWKHNULIJSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c14-12-8-10(15)6-7-11(12)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of (2-bromo-4-fluorophenyl)-cyclohexylmethanone?
(2-bromo-4-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 (2-bromo-4-fluorophenyl)-cyclohexylmethanone is sourced from PubChem (CID 114962193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).