(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

C11H14FNO — CID 55277653

IUPAC(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H14FNO/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyHBQVISFWYXWEDV-JTQLQIEISA-N
MW195.24 g/mol
LogP2.26
Rot. Bonds2

About (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 55277653) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
PubChem CID55277653
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H14FNO/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3/t10-/m0/s1
InChIKeyHBQVISFWYXWEDV-JTQLQIEISA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 162046061
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
2-(4-fluoro-2-pyrrolidin-2-ylphenyl)-3-methoxypyridine
CID 46194080
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (CID 55277653) is (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is COc1ccc(F)cc1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is HBQVISFWYXWEDV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 195.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 55277653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).