2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone

C14H16BrFO — CID 114968454

IUPAC2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
SMILESCC1(C(=O)Cc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C14H16BrFO/c1-14(6-2-3-7-14)13(17)8-10-4-5-11(15)9-12(10)16/h4-5,9H,2-3,6-8H2,1H3
InChIKeyBQGVZMOGXSECGX-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.28
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone

2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone (PubChem CID 114968454) has the molecular formula C14H16BrFO and a molecular weight of 299.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
PubChem CID114968454
Molecular FormulaC14H16BrFO
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
SMILESCC1(C(=O)Cc2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C14H16BrFO/c1-14(6-2-3-7-14)13(17)8-10-4-5-11(15)9-12(10)16/h4-5,9H,2-3,6-8H2,1H3
InChIKeyBQGVZMOGXSECGX-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79064667
1-[1-(aminomethyl)cyclopentyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116601033
1-(1-aminocyclobutyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116598573
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049
1-(1-aminocyclopropyl)-2-(4-bromo-2-fluorophenyl)ethanone
CID 116576707
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107186821
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 106827402
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone (CID 114968454) is 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone is CC1(C(=O)Cc2ccc(Br)cc2F)CCCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone?
The InChIKey is BQGVZMOGXSECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFO/c1-14(6-2-3-7-14)13(17)8-10-4-5-11(15)9-12(10)16/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone?
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone has a molecular weight of 299.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone is sourced from PubChem (CID 114968454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).