(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone

C15H18BrFO — CID 114905882

IUPAC(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H18BrFO/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h7-11H,2-6H2,1H3
InChIKeyRAVPJXLYXGHORH-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.99
Rot. Bonds3

About (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone

(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 114905882) has the molecular formula C15H18BrFO and a molecular weight of 313.21 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
PubChem CID114905882
Molecular FormulaC15H18BrFO
Molecular Weight313.21 g/mol
Exact Mass312.05
IUPAC Name(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H18BrFO/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h7-11H,2-6H2,1H3
InChIKeyRAVPJXLYXGHORH-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
2-(5-bromo-2-fluorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 65393093
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 64775002
(5-bromo-2-fluorophenyl)-(4-propan-2-ylcyclohexyl)methanone
CID 79742823
(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 65407174
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone (CID 114905882) is (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is RAVPJXLYXGHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h7-11H,2-6H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone?
(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone has a molecular weight of 313.21 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 114905882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).