2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine

C11H13ClFNO — CID 84693117

IUPAC2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
SMILESFc1ccc(Cl)cc1OCC1CCCN1
InChIInChI=1S/C11H13ClFNO/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyOUXZQBOQONFUQN-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.61
Rot. Bonds3

About 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine

2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine (PubChem CID 84693117) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
PubChem CID84693117
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine
SMILESFc1ccc(Cl)cc1OCC1CCCN1
InChIInChI=1S/C11H13ClFNO/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyOUXZQBOQONFUQN-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
CID 84681387
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 102820104
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
2,10-dichloro-6-[[(2S)-pyrrolidin-2-yl]methoxy]-5,7-dihydroindolo[2,3-b]carbazole
CID 59238891
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine?
The IUPAC name of 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine (CID 84693117) is 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine is Fc1ccc(Cl)cc1OCC1CCCN1.
What is the InChIKey of 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine?
The InChIKey is OUXZQBOQONFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine?
2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine has a molecular weight of 229.68 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 84693117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).