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

C11H13BrFNO — CID 79673830

IUPAC(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C11H13BrFNO/c12-9-3-8(4-10(13)5-9)6-14-2-1-11(15)7-14/h3-5,11,15H,1-2,6-7H2/t11-/m0/s1
InChIKeyMFGHXMFYJJGWFG-NSHDSACASA-N
MW274.13 g/mol
LogP2.15
Rot. Bonds2

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

(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 79673830) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID79673830
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C11H13BrFNO/c12-9-3-8(4-10(13)5-9)6-14-2-1-11(15)7-14/h3-5,11,15H,1-2,6-7H2/t11-/m0/s1
InChIKeyMFGHXMFYJJGWFG-NSHDSACASA-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-[(3-amino-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 112646139
1-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959990
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 79702647
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
1-[(3-bromo-5-fluorophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800664
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79673727
1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
CID 105407824
1-[(3-bromo-5-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 79708872
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol (CID 79673830) is (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol is O[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1.
What is the InChIKey of (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is MFGHXMFYJJGWFG-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-3-8(4-10(13)5-9)6-14-2-1-11(15)7-14/h3-5,11,15H,1-2,6-7H2/t11-/m0/s1.
What are the key properties of (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(3-bromo-5-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 (3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 79673830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).