3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one

C7H12FNO2 — CID 130843908

IUPAC3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1NCCC1CC(O)CF
InChIInChI=1S/C7H12FNO2/c8-4-6(10)3-5-1-2-9-7(5)11/h5-6,10H,1-4H2,(H,9,11)
InChIKeyKAKYJVQBFGNROB-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.16
Rot. Bonds3

About 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one

3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one (PubChem CID 130843908) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
PubChem CID130843908
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1NCCC1CC(O)CF
InChIInChI=1S/C7H12FNO2/c8-4-6(10)3-5-1-2-9-7(5)11/h5-6,10H,1-4H2,(H,9,11)
InChIKeyKAKYJVQBFGNROB-UHFFFAOYSA-N
XLogP-0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one (CID 130843908) is 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one is O=C1NCCC1CC(O)CF.
What is the InChIKey of 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is KAKYJVQBFGNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-4-6(10)3-5-1-2-9-7(5)11/h5-6,10H,1-4H2,(H,9,11).
What are the key properties of 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one?
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 161.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 130843908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).