(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine

C11H14FNO — CID 124547155

IUPAC(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc([C@]2(F)CCNC2)c1
InChIInChI=1S/C11H14FNO/c1-14-10-4-2-3-9(7-10)11(12)5-6-13-8-11/h2-4,7,13H,5-6,8H2,1H3/t11-/m0/s1
InChIKeyPXFUWKGVYGMBML-NSHDSACASA-N
MW195.24 g/mol
LogP1.85
Rot. Bonds2

About (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine

(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine (PubChem CID 124547155) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
PubChem CID124547155
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc([C@]2(F)CCNC2)c1
InChIInChI=1S/C11H14FNO/c1-14-10-4-2-3-9(7-10)11(12)5-6-13-8-11/h2-4,7,13H,5-6,8H2,1H3/t11-/m0/s1
InChIKeyPXFUWKGVYGMBML-NSHDSACASA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
CID 57075287
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 142462275
4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine (CID 124547155) is (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine is COc1cccc([C@]2(F)CCNC2)c1.
What is the InChIKey of (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine?
The InChIKey is PXFUWKGVYGMBML-NSHDSACASA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-10-4-2-3-9(7-10)11(12)5-6-13-8-11/h2-4,7,13H,5-6,8H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine?
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine has a molecular weight of 195.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 124547155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).