(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol

C13H18FNO — CID 129392359

IUPAC(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
SMILESC[C@@H]1CCCN1C[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10-3-2-8-15(10)9-13(16)11-4-6-12(14)7-5-11/h4-7,10,13,16H,2-3,8-9H2,1H3/t10-,13-/m1/s1
InChIKeyYKPGJQGYBROGGN-ZWNOBZJWSA-N
MW223.29 g/mol
LogP2.34
Rot. Bonds3

About (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol

(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol (PubChem CID 129392359) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
PubChem CID129392359
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
SMILESC[C@@H]1CCCN1C[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10-3-2-8-15(10)9-13(16)11-4-6-12(14)7-5-11/h4-7,10,13,16H,2-3,8-9H2,1H3/t10-,13-/m1/s1
InChIKeyYKPGJQGYBROGGN-ZWNOBZJWSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95337310
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol
CID 154769172
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842121
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 163636974

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol (CID 129392359) is (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol is C[C@@H]1CCCN1C[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol?
The InChIKey is YKPGJQGYBROGGN-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-3-2-8-15(10)9-13(16)11-4-6-12(14)7-5-11/h4-7,10,13,16H,2-3,8-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol?
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 129392359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).