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

C13H16BrFO — CID 65153621

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(Cc2cc(Br)ccc2F)C1
InChIInChI=1S/C13H16BrFO/c1-9-4-5-13(16,7-9)8-10-6-11(14)2-3-12(10)15/h2-3,6,9,16H,4-5,7-8H2,1H3
InChIKeyPIZIAGZFPGNXHK-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.68
Rot. Bonds2

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

1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 65153621) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID65153621
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(Cc2cc(Br)ccc2F)C1
InChIInChI=1S/C13H16BrFO/c1-9-4-5-13(16,7-9)8-10-6-11(14)2-3-12(10)15/h2-3,6,9,16H,4-5,7-8H2,1H3
InChIKeyPIZIAGZFPGNXHK-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[(4-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 114346880
3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol (CID 65153621) is 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is CC1CCC(O)(Cc2cc(Br)ccc2F)C1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is PIZIAGZFPGNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-9-4-5-13(16,7-9)8-10-6-11(14)2-3-12(10)15/h2-3,6,9,16H,4-5,7-8H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol?
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 287.17 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 65153621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).