3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine

C12H15F2NO — CID 91570179

IUPAC3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine
SMILESCOC(c1cc(F)cc(F)c1)C1CCNC1
InChIInChI=1S/C12H15F2NO/c1-16-12(8-2-3-15-7-8)9-4-10(13)6-11(14)5-9/h4-6,8,12,15H,2-3,7H2,1H3
InChIKeyGMCBOJGGXAOFAI-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.26
Rot. Bonds3

About 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine

3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine (PubChem CID 91570179) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine
PubChem CID91570179
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine
SMILESCOC(c1cc(F)cc(F)c1)C1CCNC1
InChIInChI=1S/C12H15F2NO/c1-16-12(8-2-3-15-7-8)9-4-10(13)6-11(14)5-9/h4-6,8,12,15H,2-3,7H2,1H3
InChIKeyGMCBOJGGXAOFAI-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
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3-[(Benzyloxy)methyl]pyrrolidine
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Pirepemat
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4-[Bis(4-fluorophenyl)methoxy]piperidine
CID 13105632
3-[Methoxy(phenyl)methyl]azetidine;hydrochloride
CID 70676155
3-[Ethoxy(phenyl)methyl]azetidine;hydrochloride
CID 70676157
N-Ethyl-2-(4-fluorophenyl)-2-methoxyethan-1-amine--hydrogen chloride (1/1)
CID 3046415
Methyl((2-phenyloxan-3-yl)methyl)amine
CID 47002630
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CID 14497353

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine (CID 91570179) is 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine is COC(c1cc(F)cc(F)c1)C1CCNC1.
What is the InChIKey of 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine?
The InChIKey is GMCBOJGGXAOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-12(8-2-3-15-7-8)9-4-10(13)6-11(14)5-9/h4-6,8,12,15H,2-3,7H2,1H3.
What are the key properties of 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine?
3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)-methoxymethyl]pyrrolidine is sourced from PubChem (CID 91570179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).