1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol

C12H16FNO2 — CID 62943959

IUPAC1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
SMILESCC(O)c1c(F)cccc1N1CCC(O)C1
InChIInChI=1S/C12H16FNO2/c1-8(15)12-10(13)3-2-4-11(12)14-6-5-9(16)7-14/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyYMEFHAAHTPENRX-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.45
Rot. Bonds2

About 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol

1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol (PubChem CID 62943959) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
PubChem CID62943959
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
SMILESCC(O)c1c(F)cccc1N1CCC(O)C1
InChIInChI=1S/C12H16FNO2/c1-8(15)12-10(13)3-2-4-11(12)14-6-5-9(16)7-14/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyYMEFHAAHTPENRX-UHFFFAOYSA-N
XLogP1.45
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
(1S)-1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-fluorophenyl]ethanol
CID 78939853
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556
(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79009309
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol (CID 62943959) is 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol is CC(O)c1c(F)cccc1N1CCC(O)C1.
What is the InChIKey of 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is YMEFHAAHTPENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(15)12-10(13)3-2-4-11(12)14-6-5-9(16)7-14/h2-4,8-9,15-16H,5-7H2,1H3.
What are the key properties of 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol?
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 62943959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).