[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol

C11H13BrFNO — CID 104781713

IUPAC[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C11H13BrFNO/c12-10-5-9(1-2-11(10)13)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyMCBXARLGLFFTMU-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.41
Rot. Bonds2

About [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol

[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 104781713) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID104781713
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ccc(F)c(Br)c2)C1
InChIInChI=1S/C11H13BrFNO/c12-10-5-9(1-2-11(10)13)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2
InChIKeyMCBXARLGLFFTMU-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
2-bromo-N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278801
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methanol
CID 64863294
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848
[1-(4-bromo-5-fluoro-2-nitrophenyl)pyrrolidin-3-yl]methanol
CID 66112465
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 65436366
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114069650

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol (CID 104781713) is [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol is OCC1CCN(c2ccc(F)c(Br)c2)C1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is MCBXARLGLFFTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-5-9(1-2-11(10)13)14-4-3-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2.
What are the key properties of [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol?
[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 274.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 104781713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).