1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol

C13H18FNO — CID 60974750

IUPAC1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N1CCCC1C
InChIInChI=1S/C13H18FNO/c1-9-5-4-8-15(9)12-7-3-6-11(14)13(12)10(2)16/h3,6-7,9-10,16H,4-5,8H2,1-2H3
InChIKeyAWOFWGPXPNEXIA-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds2

About 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol

1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol (PubChem CID 60974750) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
PubChem CID60974750
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol
SMILESCC(O)c1c(F)cccc1N1CCCC1C
InChIInChI=1S/C13H18FNO/c1-9-5-4-8-15(9)12-7-3-6-11(14)13(12)10(2)16/h3,6-7,9-10,16H,4-5,8H2,1-2H3
InChIKeyAWOFWGPXPNEXIA-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 55184859
(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
CID 78940819
(1R)-1-[2-(2,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 114087415
3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 116635301
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1S)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-6-fluorophenyl]ethanol
CID 104874566
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(2,5-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55185193
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol (CID 60974750) is 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol is CC(O)c1c(F)cccc1N1CCCC1C.
What is the InChIKey of 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
The InChIKey is AWOFWGPXPNEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-4-8-15(9)12-7-3-6-11(14)13(12)10(2)16/h3,6-7,9-10,16H,4-5,8H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol?
1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-methylpyrrolidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 60974750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).