1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine

C15H15BrFNS — CID 20895866

IUPAC1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
SMILESFc1cccc(C2CCCN2Cc2ccc(Br)s2)c1
InChIInChI=1S/C15H15BrFNS/c16-15-7-6-13(19-15)10-18-8-2-5-14(18)11-3-1-4-12(17)9-11/h1,3-4,6-7,9,14H,2,5,8,10H2
InChIKeyJFOVTIKUAOSABJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.99
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine

1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine (PubChem CID 20895866) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
PubChem CID20895866
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
SMILESFc1cccc(C2CCCN2Cc2ccc(Br)s2)c1
InChIInChI=1S/C15H15BrFNS/c16-15-7-6-13(19-15)10-18-8-2-5-14(18)11-3-1-4-12(17)9-11/h1,3-4,6-7,9,14H,2,5,8,10H2
InChIKeyJFOVTIKUAOSABJ-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 56914593
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine (CID 20895866) is 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine is Fc1cccc(C2CCCN2Cc2ccc(Br)s2)c1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine?
The InChIKey is JFOVTIKUAOSABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c16-15-7-6-13(19-15)10-18-8-2-5-14(18)11-3-1-4-12(17)9-11/h1,3-4,6-7,9,14H,2,5,8,10H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine?
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine has a molecular weight of 340.26 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 20895866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).