(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one

C10H8BrClFNO — CID 96674125

IUPAC(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1[C@H](Br)CCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8BrClFNO/c11-7-3-4-14(10(7)15)6-1-2-9(13)8(12)5-6/h1-2,5,7H,3-4H2/t7-/m1/s1
InChIKeyROLQAFLHRZLDPA-SSDOTTSWSA-N
MW292.54 g/mol
LogP2.98
Rot. Bonds1

About (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one

(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one (PubChem CID 96674125) has the molecular formula C10H8BrClFNO and a molecular weight of 292.54 g/mol. Its IUPAC name is (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
PubChem CID96674125
Molecular FormulaC10H8BrClFNO
Molecular Weight292.54 g/mol
Exact Mass290.95
IUPAC Name(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1[C@H](Br)CCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8BrClFNO/c11-7-3-4-14(10(7)15)6-1-2-9(13)8(12)5-6/h1-2,5,7H,3-4H2/t7-/m1/s1
InChIKeyROLQAFLHRZLDPA-SSDOTTSWSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one (CID 96674125) is (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one is O=C1[C@H](Br)CCN1c1ccc(F)c(Cl)c1.
What is the InChIKey of (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is ROLQAFLHRZLDPA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8BrClFNO/c11-7-3-4-14(10(7)15)6-1-2-9(13)8(12)5-6/h1-2,5,7H,3-4H2/t7-/m1/s1.
What are the key properties of (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one?
(3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 292.54 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 96674125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).