3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine

C14H17BrFNO — CID 117499437

IUPAC3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine
SMILESFc1cc(Br)c(OCC2CC2)c(C2CCNC2)c1
InChIInChI=1S/C14H17BrFNO/c15-13-6-11(16)5-12(10-3-4-17-7-10)14(13)18-8-9-1-2-9/h5-6,9-10,17H,1-4,7-8H2
InChIKeyYBJCUFLBFDXBMR-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.45
Rot. Bonds4

About 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine

3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine (PubChem CID 117499437) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine
PubChem CID117499437
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine
SMILESFc1cc(Br)c(OCC2CC2)c(C2CCNC2)c1
InChIInChI=1S/C14H17BrFNO/c15-13-6-11(16)5-12(10-3-4-17-7-10)14(13)18-8-9-1-2-9/h5-6,9-10,17H,1-4,7-8H2
InChIKeyYBJCUFLBFDXBMR-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421628
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
2-amino-1-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]ethanone
CID 117486160
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)pyrrolidine
CID 117477272
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine?
The IUPAC name of 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine (CID 117499437) is 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine.
What is the SMILES notation for 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine?
The canonical SMILES for 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine is Fc1cc(Br)c(OCC2CC2)c(C2CCNC2)c1.
What is the InChIKey of 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine?
The InChIKey is YBJCUFLBFDXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-13-6-11(16)5-12(10-3-4-17-7-10)14(13)18-8-9-1-2-9/h5-6,9-10,17H,1-4,7-8H2.
What are the key properties of 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine?
3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine has a molecular weight of 314.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-2-(cyclopropylmethoxy)-5-fluorophenyl]pyrrolidine is sourced from PubChem (CID 117499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).