[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C13H17F2NO — CID 102787791

IUPAC[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cccc(F)c2F)C1CO
InChIInChI=1S/C13H17F2NO/c1-9-5-6-16(12(9)8-17)7-10-3-2-4-11(14)13(10)15/h2-4,9,12,17H,5-8H2,1H3
InChIKeySJGDROYKXFGFRI-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.17
Rot. Bonds3

About [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102787791) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102787791
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cccc(F)c2F)C1CO
InChIInChI=1S/C13H17F2NO/c1-9-5-6-16(12(9)8-17)7-10-3-2-4-11(14)13(10)15/h2-4,9,12,17H,5-8H2,1H3
InChIKeySJGDROYKXFGFRI-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 102788959
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788246
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788937
3-[3-fluoro-4-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 102789146
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
2-(2,6-difluorophenyl)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102738066

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102787791) is [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2cccc(F)c2F)C1CO.
What is the InChIKey of [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is SJGDROYKXFGFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9-5-6-16(12(9)8-17)7-10-3-2-4-11(14)13(10)15/h2-4,9,12,17H,5-8H2,1H3.
What are the key properties of [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 241.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).