(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol

C13H17F2NO2 — CID 95334420

IUPAC(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESOC[C@H]1CCCN1C[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c14-11-4-3-9(6-12(11)15)13(18)7-16-5-1-2-10(16)8-17/h3-4,6,10,13,17-18H,1-2,5,7-8H2/t10-,13+/m1/s1
InChIKeyLPONBCAXIWMQAR-MFKMUULPSA-N
MW257.28 g/mol
LogP1.45
Rot. Bonds4

About (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol

(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 95334420) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID95334420
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESOC[C@H]1CCCN1C[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c14-11-4-3-9(6-12(11)15)13(18)7-16-5-1-2-10(16)8-17/h3-4,6,10,13,17-18H,1-2,5,7-8H2/t10-,13+/m1/s1
InChIKeyLPONBCAXIWMQAR-MFKMUULPSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
(1S)-2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-(3,4-difluorophenyl)ethanol
CID 124786656
1-(3,4-difluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanol
CID 111382198
1-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]pyrrolidine-2-carboxylic acid
CID 82216732
1-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62036321
2-fluoro-5-[1-hydroxy-2-[(2S)-2-(hydroxymethyl)piperazin-1-yl]ethyl]benzonitrile
CID 90344341
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol (CID 95334420) is (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol is OC[C@H]1CCCN1C[C@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is LPONBCAXIWMQAR-MFKMUULPSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-11-4-3-9(6-12(11)15)13(18)7-16-5-1-2-10(16)8-17/h3-4,6,10,13,17-18H,1-2,5,7-8H2/t10-,13+/m1/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 257.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 95334420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).