1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol

C13H17BrFNO — CID 70064962

IUPAC1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO/c14-10-3-4-11(12(15)9-10)13(17)5-8-16-6-1-2-7-16/h3-4,9,13,17H,1-2,5-8H2
InChIKeyAZGMLISSUQNZET-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol

1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 70064962) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID70064962
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C13H17BrFNO/c14-10-3-4-11(12(15)9-10)13(17)5-8-16-6-1-2-7-16/h3-4,9,13,17H,1-2,5-8H2
InChIKeyAZGMLISSUQNZET-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 70064962) is 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol is OC(CCN1CCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is AZGMLISSUQNZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-10-3-4-11(12(15)9-10)13(17)5-8-16-6-1-2-7-16/h3-4,9,13,17H,1-2,5-8H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol?
1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 302.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 70064962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).