2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone

C15H18BrFO2 — CID 116747912

IUPAC2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
SMILESCCOC1(C(=O)Cc2cc(F)cc(Br)c2)CCCC1
InChIInChI=1S/C15H18BrFO2/c1-2-19-15(5-3-4-6-15)14(18)9-11-7-12(16)10-13(17)8-11/h7-8,10H,2-6,9H2,1H3
InChIKeyUAFNTWHZYDSBQO-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.05
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone (PubChem CID 116747912) has the molecular formula C15H18BrFO2 and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
PubChem CID116747912
Molecular FormulaC15H18BrFO2
Molecular Weight329.21 g/mol
Exact Mass328.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
SMILESCCOC1(C(=O)Cc2cc(F)cc(Br)c2)CCCC1
InChIInChI=1S/C15H18BrFO2/c1-2-19-15(5-3-4-6-15)14(18)9-11-7-12(16)10-13(17)8-11/h7-8,10H,2-6,9H2,1H3
InChIKeyUAFNTWHZYDSBQO-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3-bromo-5-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750349
2-(3,5-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 105405541
2-(3-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685776
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
2-(3-bromophenyl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750033
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone (CID 116747912) is 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone is CCOC1(C(=O)Cc2cc(F)cc(Br)c2)CCCC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone?
The InChIKey is UAFNTWHZYDSBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFO2/c1-2-19-15(5-3-4-6-15)14(18)9-11-7-12(16)10-13(17)8-11/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone has a molecular weight of 329.21 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone is sourced from PubChem (CID 116747912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).