3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol

C10H10BrFO2 — CID 164649441

IUPAC3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2cc(F)cc(Br)c2)COC1
InChIInChI=1S/C10H10BrFO2/c11-8-1-7(2-9(12)3-8)4-10(13)5-14-6-10/h1-3,13H,4-6H2
InChIKeyFDXITLFRBRCLQF-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.89
Rot. Bonds2

About 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol

3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol (PubChem CID 164649441) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
PubChem CID164649441
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
SMILESOC1(Cc2cc(F)cc(Br)c2)COC1
InChIInChI=1S/C10H10BrFO2/c11-8-1-7(2-9(12)3-8)4-10(13)5-14-6-10/h1-3,13H,4-6H2
InChIKeyFDXITLFRBRCLQF-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-5-fluorophenyl)methyl]thietan-3-ol
CID 131076372
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 79701214
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 113420895
1-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcycloheptan-1-ol
CID 79699253
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
3-[(3-bromo-5-fluorophenyl)methyl]-3-methylazetidine
CID 79711008
1-[(3-bromo-5-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 79702276
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol (CID 164649441) is 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol is OC1(Cc2cc(F)cc(Br)c2)COC1.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol?
The InChIKey is FDXITLFRBRCLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-8-1-7(2-9(12)3-8)4-10(13)5-14-6-10/h1-3,13H,4-6H2.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol?
3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol has a molecular weight of 261.09 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol is sourced from PubChem (CID 164649441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).