2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride

C12H16ClF2NO — CID 19002688

IUPAC2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
SMILESCN1CCCC1COc1cccc(F)c1F.Cl
InChIInChI=1S/C12H15F2NO.ClH/c1-15-7-3-4-9(15)8-16-11-6-2-5-10(13)12(11)14;/h2,5-6,9H,3-4,7-8H2,1H3;1H
InChIKeySDRTWAABSMEIGH-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.86
Rot. Bonds3

About 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride

2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride (PubChem CID 19002688) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
PubChem CID19002688
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride
SMILESCN1CCCC1COc1cccc(F)c1F.Cl
InChIInChI=1S/C12H15F2NO.ClH/c1-15-7-3-4-9(15)8-16-11-6-2-5-10(13)12(11)14;/h2,5-6,9H,3-4,7-8H2,1H3;1H
InChIKeySDRTWAABSMEIGH-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride (CID 19002688) is 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride is CN1CCCC1COc1cccc(F)c1F.Cl.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride?
The InChIKey is SDRTWAABSMEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO.ClH/c1-15-7-3-4-9(15)8-16-11-6-2-5-10(13)12(11)14;/h2,5-6,9H,3-4,7-8H2,1H3;1H.
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride?
2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride has a molecular weight of 263.71 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenoxy)methyl]-1-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 19002688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).