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

C11H13BrFNO — CID 78963344

IUPAC(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2cc(Br)ccc2F)C1
InChIInChI=1S/C11H13BrFNO/c12-9-1-2-11(13)8(5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7H2/t10-/m1/s1
InChIKeyAHFMQMIALVZOQB-SNVBAGLBSA-N
MW274.13 g/mol
LogP2.15
Rot. Bonds2

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

(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 78963344) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID78963344
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2cc(Br)ccc2F)C1
InChIInChI=1S/C11H13BrFNO/c12-9-1-2-11(13)8(5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7H2/t10-/m1/s1
InChIKeyAHFMQMIALVZOQB-SNVBAGLBSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
1-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959942
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
CID 80679697
4-fluoro-3-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 107452258
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909746
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
1-[(5-bromo-2-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038667
2-[(5-bromo-2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234241
(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 103917970
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol (CID 78963344) is (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2cc(Br)ccc2F)C1.
What is the InChIKey of (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is AHFMQMIALVZOQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-1-2-11(13)8(5-9)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7H2/t10-/m1/s1.
What are the key properties of (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 274.13 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 78963344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).