1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one

C10H8BrF2NO2 — CID 168703474

IUPAC1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C10H8BrF2NO2/c11-10-7(12)1-5(2-8(10)13)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2
InChIKeyZEOHVTPLDAGWKL-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.82
Rot. Bonds1

About 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one

1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703474) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703474
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC Name1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C10H8BrF2NO2/c11-10-7(12)1-5(2-8(10)13)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2
InChIKeyZEOHVTPLDAGWKL-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

S-[1-(4-bromo-3,5-difluorophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706717
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
4-(azidomethyl)-1-(4-bromo-3,5-difluorophenyl)pyrrolidin-2-one
CID 168657886
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703343
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 79767866
1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one (CID 168703474) is 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cc(F)c(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is ZEOHVTPLDAGWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c11-10-7(12)1-5(2-8(10)13)14-4-6(15)3-9(14)16/h1-2,6,15H,3-4H2.
What are the key properties of 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one?
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 292.08 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).