2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine

C12H15ClFNO — CID 62334722

IUPAC2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1ccc(COCC2CCCN2)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c13-12-6-10(14)4-3-9(12)7-16-8-11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyALZKPRHUZCBISQ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.75
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine

2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine (PubChem CID 62334722) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
PubChem CID62334722
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1ccc(COCC2CCCN2)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c13-12-6-10(14)4-3-9(12)7-16-8-11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyALZKPRHUZCBISQ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
CID 104792599
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine (CID 62334722) is 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine is Fc1ccc(COCC2CCCN2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is ALZKPRHUZCBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-12-6-10(14)4-3-9(12)7-16-8-11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7-8H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine?
2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 243.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 62334722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).