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

C17H24F2N2O — CID 111753197

IUPAC[1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C17H24F2N2O/c18-16-7-1-4-13(17(16)19)10-20-8-2-5-14(20)11-21-9-3-6-15(21)12-22/h1,4,7,14-15,22H,2-3,5-6,8-12H2
InChIKeyTZOJHWAZQKCQJF-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.39
Rot. Bonds5

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

[1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 111753197) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID111753197
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name[1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1Cc1cccc(F)c1F
InChIInChI=1S/C17H24F2N2O/c18-16-7-1-4-13(17(16)19)10-20-8-2-5-14(20)11-21-9-3-6-15(21)12-22/h1,4,7,14-15,22H,2-3,5-6,8-12H2
InChIKeyTZOJHWAZQKCQJF-UHFFFAOYSA-N
XLogP2.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
(1-Benzylpyrrolidin-2-yl)methanol
CID 562951
(1-{[2-(Trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl)methanol
CID 2845337
[1-[(2-Fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 5100175
(1-Benzyl-2-methylpyrrolidin-2-yl)methanol
CID 56795638
((2S,4S)-1-Benzyl-4-fluoropyrrolidin-2-YL)methanol
CID 118116511
[(2R,4S)-1-benzyl-4-fluoropyrrolidin-2-yl]methanol
CID 132282624
[1-[(3-Methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 2845227
(S)-(1-(4-Methylbenzyl)pyrrolidin-2-yl)methanol
CID 40427974
(cis-1-Benzylpyrrolidine-2,5-diyl)dimethanol
CID 57755381
(1-Benzyl-4-methyl-pyrrolidin-2-yl)methanol
CID 67931404
((2R,4R)-1-benzyl-4-methylpyrrolidin-2-yl)methanol
CID 67986287

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 111753197) is [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1Cc1cccc(F)c1F.
What is the InChIKey of [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is TZOJHWAZQKCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-16-7-1-4-13(17(16)19)10-20-8-2-5-14(20)11-21-9-3-6-15(21)12-22/h1,4,7,14-15,22H,2-3,5-6,8-12H2.
What are the key properties of [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 310.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111753197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).