(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine

C12H12FNSe — CID 171510254

IUPAC(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine
SMILESFc1ccc2c([C@H]3CCNC3)c[se]c2c1
InChIInChI=1S/C12H12FNSe/c13-9-1-2-10-11(7-15-12(10)5-9)8-3-4-14-6-8/h1-2,5,7-8,14H,3-4,6H2/t8-/m0/s1
InChIKeyJIYLTFPWJWNZPX-QMMMGPOBSA-N
MW268.19 g/mol
LogP2.11
Rot. Bonds1

About (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine

(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine (PubChem CID 171510254) has the molecular formula C12H12FNSe and a molecular weight of 268.19 g/mol. Its IUPAC name is (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine
PubChem CID171510254
Molecular FormulaC12H12FNSe
Molecular Weight268.19 g/mol
Exact Mass269.01
IUPAC Name(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine
SMILESFc1ccc2c([C@H]3CCNC3)c[se]c2c1
InChIInChI=1S/C12H12FNSe/c13-9-1-2-10-11(7-15-12(10)5-9)8-3-4-14-6-8/h1-2,5,7-8,14H,3-4,6H2/t8-/m0/s1
InChIKeyJIYLTFPWJWNZPX-QMMMGPOBSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 82607556
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
5-fluoro-2-pyrrolidin-3-ylbenzaldehyde
CID 117283556
3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
6-fluoro-3-piperidin-3-yl-1H-indole
CID 54857103
7-fluoro-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 105457249
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
4-(6-fluoro-1-benzothiophen-3-yl)piperidine
CID 10105486
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine?
The IUPAC name of (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine (CID 171510254) is (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine?
The canonical SMILES for (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine is Fc1ccc2c([C@H]3CCNC3)c[se]c2c1.
What is the InChIKey of (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine?
The InChIKey is JIYLTFPWJWNZPX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12FNSe/c13-9-1-2-10-11(7-15-12(10)5-9)8-3-4-14-6-8/h1-2,5,7-8,14H,3-4,6H2/t8-/m0/s1.
What are the key properties of (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine?
(3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine has a molecular weight of 268.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-fluoro-1-benzoselenophen-3-yl)pyrrolidine is sourced from PubChem (CID 171510254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).