3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol

C12H12BrFO — CID 79712111

IUPAC3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1C=C(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C12H12BrFO/c13-10-4-9(5-11(14)7-10)3-8-1-2-12(15)6-8/h4-7,12,15H,1-3H2
InChIKeyAKFHOYMXGCLZEH-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.21
Rot. Bonds2

About 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol

3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol (PubChem CID 79712111) has the molecular formula C12H12BrFO and a molecular weight of 271.13 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol
PubChem CID79712111
Molecular FormulaC12H12BrFO
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Name3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1C=C(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C12H12BrFO/c13-10-4-9(5-11(14)7-10)3-8-1-2-12(15)6-8/h4-7,12,15H,1-3H2
InChIKeyAKFHOYMXGCLZEH-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383511
3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol
CID 104812157
3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-one
CID 107382998
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
2-[(3-bromo-5-fluorophenyl)methyl]cyclopentan-1-one
CID 79702835
8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79673727
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79711953
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455829

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol (CID 79712111) is 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol is OC1C=C(Cc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol?
The InChIKey is AKFHOYMXGCLZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFO/c13-10-4-9(5-11(14)7-10)3-8-1-2-12(15)6-8/h4-7,12,15H,1-3H2.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol?
3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol has a molecular weight of 271.13 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 79712111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).