(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine

C12H16FNO2 — CID 67315733

IUPAC(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
SMILESCOc1ccc(F)cc1OC[C@H]1CCCN1
InChIInChI=1S/C12H16FNO2/c1-15-11-5-4-9(13)7-12(11)16-8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3/t10-/m1/s1
InChIKeyRRKTXQMECNSJJB-SNVBAGLBSA-N
MW225.26 g/mol
LogP1.97
Rot. Bonds4

About (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine

(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine (PubChem CID 67315733) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
PubChem CID67315733
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
SMILESCOc1ccc(F)cc1OC[C@H]1CCCN1
InChIInChI=1S/C12H16FNO2/c1-15-11-5-4-9(13)7-12(11)16-8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3/t10-/m1/s1
InChIKeyRRKTXQMECNSJJB-SNVBAGLBSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
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(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614885
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 84693117
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
2-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]pyrrolidine
CID 107260637
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615580
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine (CID 67315733) is (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine is COc1ccc(F)cc1OC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine?
The InChIKey is RRKTXQMECNSJJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-11-5-4-9(13)7-12(11)16-8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine?
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine has a molecular weight of 225.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 67315733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).