(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one

C8H14FNO2 — CID 131110606

IUPAC(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C8H14FNO2/c1-6(11)7(12)10-4-3-8(2,9)5-10/h6,11H,3-5H2,1-2H3/t6-,8?/m0/s1
InChIKeyNKOYZRZFBCKLOT-UUEFVBAFSA-N
MW175.20 g/mol
LogP0.33
Rot. Bonds1

About (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one

(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 131110606) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
PubChem CID131110606
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCC(C)(F)C1
InChIInChI=1S/C8H14FNO2/c1-6(11)7(12)10-4-3-8(2,9)5-10/h6,11H,3-5H2,1-2H3/t6-,8?/m0/s1
InChIKeyNKOYZRZFBCKLOT-UUEFVBAFSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-hydroxy-1-(1-pyrrolidinyl)-1-propanone
CID 11051776
(2R)-2-hydroxy-1-(pyrrolidin-1-yl)propan-1-one
CID 11194401
2-Hydroxy-1-pyrrolidin-1-yl-propan-1-one
CID 14373622
3,3,3-Trifluoro-2-hydroxy-1-(pyrrolidin-1-YL)propan-1-one
CID 14436604
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
(2S)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 67704779
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 68086233
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
1-[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246751
(2S)-1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 121246950
1-[(3R,4S)-3-fluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246957
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121261744

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one (CID 131110606) is (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CCC(C)(F)C1.
What is the InChIKey of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is NKOYZRZFBCKLOT-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(11)7(12)10-4-3-8(2,9)5-10/h6,11H,3-5H2,1-2H3/t6-,8?/m0/s1.
What are the key properties of (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one?
(2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 175.20 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 131110606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).