1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol

C13H17F2NO2 — CID 111442628

IUPAC1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESOCC1CCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2NO2/c14-10-1-2-12(15)11(5-10)13(18)7-16-4-3-9(6-16)8-17/h1-2,5,9,13,17-18H,3-4,6-8H2
InChIKeyHHQTVIBOVPLWAE-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.31
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol

1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 111442628) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID111442628
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESOCC1CCN(CC(O)c2cc(F)ccc2F)C1
InChIInChI=1S/C13H17F2NO2/c14-10-1-2-12(15)11(5-10)13(18)7-16-4-3-9(6-16)8-17/h1-2,5,9,13,17-18H,3-4,6-8H2
InChIKeyHHQTVIBOVPLWAE-UHFFFAOYSA-N
XLogP1.31
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 100851245
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
CID 111118057
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
CID 111916571
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol (CID 111442628) is 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol is OCC1CCN(CC(O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is HHQTVIBOVPLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-10-1-2-12(15)11(5-10)13(18)7-16-4-3-9(6-16)8-17/h1-2,5,9,13,17-18H,3-4,6-8H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 257.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111442628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).