5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol

C16H17F2NO3 — CID 167918948

IUPAC5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
SMILESOCc1ccc(CN2CC(O)CC2c2cc(F)ccc2F)o1
InChIInChI=1S/C16H17F2NO3/c17-10-1-4-15(18)14(5-10)16-6-11(21)7-19(16)8-12-2-3-13(9-20)22-12/h1-5,11,16,20-21H,6-9H2
InChIKeyHZRHSOPDBDERRZ-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.36
Rot. Bonds4

About 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol

5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 167918948) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
PubChem CID167918948
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
SMILESOCc1ccc(CN2CC(O)CC2c2cc(F)ccc2F)o1
InChIInChI=1S/C16H17F2NO3/c17-10-1-4-15(18)14(5-10)16-6-11(21)7-19(16)8-12-2-3-13(9-20)22-12/h1-5,11,16,20-21H,6-9H2
InChIKeyHZRHSOPDBDERRZ-UHFFFAOYSA-N
XLogP2.36
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-5-(2,5-difluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129397668
(3S,5R)-5-(2,5-difluorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129372719
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 154743174
4-[[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 128975885
(3S,5S)-5-(2,5-difluorophenyl)-1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-3-ol
CID 129380364
4-[[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129471230
(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 100657073
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 129380433
(3R,5R)-5-(2,5-difluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129397654
5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 71844705
(3R,5S)-5-(2,5-difluorophenyl)-1-[2-(2-ethylpyrazol-3-yl)ethyl]pyrrolidin-3-ol
CID 129447541

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol (CID 167918948) is 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol is OCc1ccc(CN2CC(O)CC2c2cc(F)ccc2F)o1.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is HZRHSOPDBDERRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c17-10-1-4-15(18)14(5-10)16-6-11(21)7-19(16)8-12-2-3-13(9-20)22-12/h1-5,11,16,20-21H,6-9H2.
What are the key properties of 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol?
5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 309.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167918948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).