2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

C13H15BrFNO — CID 142588628

IUPAC2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2cccc(F)c2Br)=N1
InChIInChI=1S/C13H15BrFNO/c1-13(2,17)11-7-6-10(16-11)8-4-3-5-9(15)12(8)14/h3-5,11,17H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyAATFHILNYOXHQZ-LLVKDONJSA-N
MW300.17 g/mol
LogP3.31
Rot. Bonds2

About 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol

2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (PubChem CID 142588628) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
PubChem CID142588628
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCC(c2cccc(F)c2Br)=N1
InChIInChI=1S/C13H15BrFNO/c1-13(2,17)11-7-6-10(16-11)8-4-3-5-9(15)12(8)14/h3-5,11,17H,6-7H2,1-2H3/t11-/m1/s1
InChIKeyAATFHILNYOXHQZ-LLVKDONJSA-N
XLogP3.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-5-(2-bromo-4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588419
2-[(2R)-5-(2-bromo-4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588421
2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588433
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588465
2-[(2R)-5-(2-bromo-5-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588469
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525
2-[(2R)-5-(2-bromo-5-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588538
2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588584
2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 142588605
5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
CID 146633765
[5-fluoro-2-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)phenyl]-methylidene-lambda3-bromane
CID 163674426

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol (CID 142588628) is 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is CC(C)(O)[C@H]1CCC(c2cccc(F)c2Br)=N1.
What is the InChIKey of 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
The InChIKey is AATFHILNYOXHQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-13(2,17)11-7-6-10(16-11)8-4-3-5-9(15)12(8)14/h3-5,11,17H,6-7H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol?
2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol has a molecular weight of 300.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-(2-bromo-3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol is sourced from PubChem (CID 142588628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).