3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine

C11H13BrFNO — CID 79702337

IUPAC3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine
SMILESFc1cc(Br)cc(COC2CCNC2)c1
InChIInChI=1S/C11H13BrFNO/c12-9-3-8(4-10(13)5-9)7-15-11-1-2-14-6-11/h3-5,11,14H,1-2,6-7H2
InChIKeyCFHDIAKSFZAYTC-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.47
Rot. Bonds3

About 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine

3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine (PubChem CID 79702337) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine
PubChem CID79702337
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine
SMILESFc1cc(Br)cc(COC2CCNC2)c1
InChIInChI=1S/C11H13BrFNO/c12-9-3-8(4-10(13)5-9)7-15-11-1-2-14-6-11/h3-5,11,14H,1-2,6-7H2
InChIKeyCFHDIAKSFZAYTC-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
1-bromo-3-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79702210
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79701830
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
CID 115070515
3-[2-(4-fluorophenyl)ethoxy]pyrrolidine
CID 115070535
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine (CID 79702337) is 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine is Fc1cc(Br)cc(COC2CCNC2)c1.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine?
The InChIKey is CFHDIAKSFZAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-9-3-8(4-10(13)5-9)7-15-11-1-2-14-6-11/h3-5,11,14H,1-2,6-7H2.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine?
3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine has a molecular weight of 274.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine is sourced from PubChem (CID 79702337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).