2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one

C12H12BrFO — CID 79702835

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H12BrFO/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-12(9)15/h5-7,9H,1-4H2
InChIKeyPNQUVLAKSIXAIO-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.50
Rot. Bonds2

About 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one

2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one (PubChem CID 79702835) has the molecular formula C12H12BrFO and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one
PubChem CID79702835
Molecular FormulaC12H12BrFO
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one
SMILESO=C1CCCC1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H12BrFO/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-12(9)15/h5-7,9H,1-4H2
InChIKeyPNQUVLAKSIXAIO-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-bromo-5-fluorophenyl)methyl]thiolan-3-one
CID 83196057
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732
2-[(4-chloro-3-fluorophenyl)methyl]cyclopentan-1-one
CID 107882808
2-[(3,5-difluorophenyl)methyl]-4-methylcyclohexan-1-one
CID 105404505
3-[(3,5-difluorophenyl)methyl]piperidin-4-one
CID 105404516
(2R)-2-[[2,5-dihydroxy-4-[[(1S)-2-oxocycloheptyl]methyl]phenyl]methyl]cycloheptan-1-one
CID 92528936
3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383511
3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-one
CID 107382998
2-[(5-bromo-2-pyridinyl)methyl]cyclopentan-1-one
CID 104799754
3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol
CID 79712111
N-[(3-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56818163
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one (CID 79702835) is 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one is O=C1CCCC1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one?
The InChIKey is PNQUVLAKSIXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO/c13-10-5-8(6-11(14)7-10)4-9-2-1-3-12(9)15/h5-7,9H,1-4H2.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one?
2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one has a molecular weight of 271.13 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 79702835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).