1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one

C7H12FNO2 — CID 77405134

IUPAC1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(O)C(F)C1
InChIInChI=1S/C7H12FNO2/c1-2-7(11)9-3-5(8)6(10)4-9/h5-6,10H,2-4H2,1H3
InChIKeyHXSGDBJMSUJGSR-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.06
Rot. Bonds1

About 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one

1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 77405134) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
PubChem CID77405134
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(O)C(F)C1
InChIInChI=1S/C7H12FNO2/c1-2-7(11)9-3-5(8)6(10)4-9/h5-6,10H,2-4H2,1H3
InChIKeyHXSGDBJMSUJGSR-UHFFFAOYSA-N
XLogP-0.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(2S)-2-hydroxy-1-(1-pyrrolidinyl)-1-propanone
CID 11051776
1-(2-Hydroxypropyl)pyrrolidin-2-one
CID 21718835
1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
(R)-1-Acetyl-3-pyrrolidinol
CID 10486876
(2R)-2-hydroxy-1-(pyrrolidin-1-yl)propan-1-one
CID 11194401
4-Hydroxy-1-methylpyrrolidin-2-one
CID 17811779
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
1-((3S)-3-Hydroxypyrrolidin-1-yl)ethan-1-one
CID 55267746
(4S)-4-hydroxy-1-methylpyrrolidin-2-one
CID 57237418
(4R)-4-hydroxy-1-methylpyrrolidin-2-one
CID 58967513

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one (CID 77405134) is 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one is CCC(=O)N1CC(O)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is HXSGDBJMSUJGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-7(11)9-3-5(8)6(10)4-9/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one?
1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 161.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 77405134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).