(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol

C17H24FNO — CID 78940819

IUPAC(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCCC1C1CCCC1
InChIInChI=1S/C17H24FNO/c1-12(20)17-14(18)8-4-9-16(17)19-11-5-10-15(19)13-6-2-3-7-13/h4,8-9,12-13,15,20H,2-3,5-7,10-11H2,1H3/t12-,15?/m0/s1
InChIKeyYAUFMBBGHGPPQW-SFVWDYPZSA-N
MW277.38 g/mol
LogP4.04
Rot. Bonds3

About (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol (PubChem CID 78940819) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
PubChem CID78940819
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCCC1C1CCCC1
InChIInChI=1S/C17H24FNO/c1-12(20)17-14(18)8-4-9-16(17)19-11-5-10-15(19)13-6-2-3-7-13/h4,8-9,12-13,15,20H,2-3,5-7,10-11H2,1H3/t12-,15?/m0/s1
InChIKeyYAUFMBBGHGPPQW-SFVWDYPZSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol (CID 78940819) is (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CCCC1C1CCCC1.
What is the InChIKey of (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is YAUFMBBGHGPPQW-SFVWDYPZSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12(20)17-14(18)8-4-9-16(17)19-11-5-10-15(19)13-6-2-3-7-13/h4,8-9,12-13,15,20H,2-3,5-7,10-11H2,1H3/t12-,15?/m0/s1.
What are the key properties of (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 277.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-cyclopentylpyrrolidin-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 78940819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).