3-[(2,4-difluorophenyl)methoxy]pyrrolidine

C11H13F2NO — CID 56831227

IUPAC3-[(2,4-difluorophenyl)methoxy]pyrrolidine
SMILESFc1ccc(COC2CCNC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-9-2-1-8(11(13)5-9)7-15-10-3-4-14-6-10/h1-2,5,10,14H,3-4,6-7H2
InChIKeyFPDUPDWIPPINDH-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.84
Rot. Bonds3

About 3-[(2,4-difluorophenyl)methoxy]pyrrolidine

3-[(2,4-difluorophenyl)methoxy]pyrrolidine (PubChem CID 56831227) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methoxy]pyrrolidine
PubChem CID56831227
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[(2,4-difluorophenyl)methoxy]pyrrolidine
SMILESFc1ccc(COC2CCNC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-9-2-1-8(11(13)5-9)7-15-10-3-4-14-6-10/h1-2,5,10,14H,3-4,6-7H2
InChIKeyFPDUPDWIPPINDH-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(pyrrolidin-3-yloxymethyl)benzonitrile
CID 62327906
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
CID 68927938
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
but-2-enedioic acid;(3R)-3-[[2-(2,4-difluorophenyl)phenyl]methoxy]pyrrolidine
CID 68921762
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 68927392
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methoxy]pyrrolidine?
The IUPAC name of 3-[(2,4-difluorophenyl)methoxy]pyrrolidine (CID 56831227) is 3-[(2,4-difluorophenyl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methoxy]pyrrolidine is Fc1ccc(COC2CCNC2)c(F)c1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methoxy]pyrrolidine?
The InChIKey is FPDUPDWIPPINDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-2-1-8(11(13)5-9)7-15-10-3-4-14-6-10/h1-2,5,10,14H,3-4,6-7H2.
What are the key properties of 3-[(2,4-difluorophenyl)methoxy]pyrrolidine?
3-[(2,4-difluorophenyl)methoxy]pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methoxy]pyrrolidine is sourced from PubChem (CID 56831227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).