1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol

C13H12BrFO2 — CID 107627214

IUPAC1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C13H12BrFO2/c1-8(16)6-10-3-5-13(17-10)11-7-9(15)2-4-12(11)14/h2-5,7-8,16H,6H2,1H3
InChIKeyRLMKUTNMPVKWRK-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.77
Rot. Bonds3

About 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol (PubChem CID 107627214) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
PubChem CID107627214
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C13H12BrFO2/c1-8(16)6-10-3-5-13(17-10)11-7-9(15)2-4-12(11)14/h2-5,7-8,16H,6H2,1H3
InChIKeyRLMKUTNMPVKWRK-UHFFFAOYSA-N
XLogP3.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
CID 104725052
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine
CID 107626813
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol
CID 55180164
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
CID 63085980
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
CID 63084768
1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol
CID 63085302
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
CID 107607605
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol (CID 107627214) is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol is CC(O)Cc1ccc(-c2cc(F)ccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol?
The InChIKey is RLMKUTNMPVKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c1-8(16)6-10-3-5-13(17-10)11-7-9(15)2-4-12(11)14/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol?
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol has a molecular weight of 299.14 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 107627214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).