(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol

C8H16FNO — CID 170015918

IUPAC(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1CC(C)(F)CN1C
InChIInChI=1S/C8H16FNO/c1-6(11)7-4-8(2,9)5-10(7)3/h6-7,11H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyYJHYWYUSVAPZIW-WPZUCAASSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds1

About (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol

(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol (PubChem CID 170015918) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
PubChem CID170015918
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1CC(C)(F)CN1C
InChIInChI=1S/C8H16FNO/c1-6(11)7-4-8(2,9)5-10(7)3/h6-7,11H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyYJHYWYUSVAPZIW-WPZUCAASSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol (CID 170015918) is (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol is C[C@H](O)[C@@H]1CC(C)(F)CN1C.
What is the InChIKey of (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol?
The InChIKey is YJHYWYUSVAPZIW-WPZUCAASSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(11)7-4-8(2,9)5-10(7)3/h6-7,11H,4-5H2,1-3H3/t6-,7-,8?/m0/s1.
What are the key properties of (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol?
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 170015918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).