1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one

C8H13F2NO3 — CID 164653889

IUPAC1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one
SMILESCC(O)(CN1CC(O)CC1=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-8(14,7(9)10)4-11-3-5(12)2-6(11)13/h5,7,12,14H,2-4H2,1H3
InChIKeyFXBOXYDPBLPRRP-UHFFFAOYSA-N
MW209.19 g/mol
LogP-0.40
Rot. Bonds3

About 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one

1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one (PubChem CID 164653889) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one
PubChem CID164653889
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one
SMILESCC(O)(CN1CC(O)CC1=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-8(14,7(9)10)4-11-3-5(12)2-6(11)13/h5,7,12,14H,2-4H2,1H3
InChIKeyFXBOXYDPBLPRRP-UHFFFAOYSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-1-methylpyrrolidin-2-one
CID 17811779
(4S)-4-hydroxy-1-methylpyrrolidin-2-one
CID 57237418
(4R)-4-hydroxy-1-methylpyrrolidin-2-one
CID 58967513
(S)-3-hydroxy-1-(2,2,2-trifluoroethyl)-2-pyrrolidinone
CID 100665335
1-Acetyl-4-hydroxy-pyrrolidin-2-one
CID 539718
3-Hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623568
Cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556916
cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556917
Rac-trans-cyclopropyl(3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl)methanone
CID 131744788
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267389
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 132267390
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267392

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one (CID 164653889) is 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one is CC(O)(CN1CC(O)CC1=O)C(F)F.
What is the InChIKey of 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is FXBOXYDPBLPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-8(14,7(9)10)4-11-3-5(12)2-6(11)13/h5,7,12,14H,2-4H2,1H3.
What are the key properties of 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one?
1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 209.19 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2-hydroxy-2-methylpropyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 164653889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).