2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine

C12H15F2NO — CID 62333624

IUPAC2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1ccc(F)c(COCC2CCCN2)c1
InChIInChI=1S/C12H15F2NO/c13-10-3-4-12(14)9(6-10)7-16-8-11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyLDGCGILLAFQGKK-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.23
Rot. Bonds4

About 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine

2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine (PubChem CID 62333624) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
PubChem CID62333624
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1ccc(F)c(COCC2CCCN2)c1
InChIInChI=1S/C12H15F2NO/c13-10-3-4-12(14)9(6-10)7-16-8-11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyLDGCGILLAFQGKK-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methoxymethyl]pyrrolidine
CID 62334722
2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
CID 104792599
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
2-[(5-chloro-2-methoxyphenyl)methoxymethyl]piperidine
CID 55060618
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
4-fluoro-2-(pyrrolidin-2-ylmethoxy)aniline
CID 117095591
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606335
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513358
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine (CID 62333624) is 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine is Fc1ccc(F)c(COCC2CCCN2)c1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is LDGCGILLAFQGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-3-4-12(14)9(6-10)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-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine?
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 62333624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).