(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol

C12H16FNO — CID 63371551

IUPAC(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCCC1
InChIInChI=1S/C12H16FNO/c1-9(15)12-10(13)5-4-6-11(12)14-7-2-3-8-14/h4-6,9,15H,2-3,7-8H2,1H3/t9-/m1/s1
InChIKeyGSCKONOCFBRYIL-SECBINFHSA-N
MW209.26 g/mol
LogP2.48
Rot. Bonds2

About (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol

(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 63371551) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
PubChem CID63371551
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCCC1
InChIInChI=1S/C12H16FNO/c1-9(15)12-10(13)5-4-6-11(12)14-7-2-3-8-14/h4-6,9,15H,2-3,7-8H2,1H3/t9-/m1/s1
InChIKeyGSCKONOCFBRYIL-SECBINFHSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
CID 63371860
4-[3-fluoro-2-(1-hydroxyethyl)phenyl]-1-methyl-1,4-diazepan-2-one
CID 102889515
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
CID 117113836
(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79009309
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol (CID 63371551) is (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol is C[C@@H](O)c1c(F)cccc1N1CCCC1.
What is the InChIKey of (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is GSCKONOCFBRYIL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(15)12-10(13)5-4-6-11(12)14-7-2-3-8-14/h4-6,9,15H,2-3,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol?
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 209.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 63371551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).