(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one

C8H12FNO3 — CID 118414356

IUPAC(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)C[C@H]1C1(F)COC1
InChIInChI=1S/C8H12FNO3/c9-8(3-13-4-8)6-1-5(2-11)10-7(6)12/h5-6,11H,1-4H2,(H,10,12)/t5-,6+/m0/s1
InChIKeyIRLRKOAEHDUDGC-NTSWFWBYSA-N
MW189.19 g/mol
LogP-0.78
Rot. Bonds2

About (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one

(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 118414356) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID118414356
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)C[C@H]1C1(F)COC1
InChIInChI=1S/C8H12FNO3/c9-8(3-13-4-8)6-1-5(2-11)10-7(6)12/h5-6,11H,1-4H2,(H,10,12)/t5-,6+/m0/s1
InChIKeyIRLRKOAEHDUDGC-NTSWFWBYSA-N
XLogP-0.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(fluoromethyl)-5-(hydroxymethyl)pyrrolidin-2-one
CID 166972552
(3R,5S)-3-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 51401118
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
CID 170608937
5-(hydroxymethyl)-1,3-diazinane-2,4,6-trione
CID 141227238
ethane;6-(hydroxymethyl)piperazin-2-one
CID 170608951
6-(3-fluorooxetan-3-yl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 142734623
(1S,2S,3S,6S,10S,13S,15S,18S)-13-(hydroxymethyl)-3,18-dimethoxy-10-methyl-9,12-diazatricyclo[13.3.1.12,6]icosane-8,11-dione
CID 141313847
1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol
CID 129208532
(3R,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione
CID 93496580
(3S,5S)-3-bromo-3-fluoro-5-(hydroxymethyl)oxolan-2-one
CID 129098089
3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 135231042

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one (CID 118414356) is (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one is O=C1N[C@H](CO)C[C@H]1C1(F)COC1.
What is the InChIKey of (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is IRLRKOAEHDUDGC-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H12FNO3/c9-8(3-13-4-8)6-1-5(2-11)10-7(6)12/h5-6,11H,1-4H2,(H,10,12)/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one?
(3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 189.19 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-(3-fluorooxetan-3-yl)-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 118414356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).