(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one

C10H9F2NO2 — CID 59593460

IUPAC(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO2/c11-6-3-7(12)5-8(4-6)13-2-1-9(14)10(13)15/h3-5,9,14H,1-2H2/t9-/m1/s1
InChIKeyMLHNCHKLMZTLNH-SECBINFHSA-N
MW213.18 g/mol
LogP1.06
Rot. Bonds1

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

(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 59593460) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
PubChem CID59593460
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO2/c11-6-3-7(12)5-8(4-6)13-2-1-9(14)10(13)15/h3-5,9,14H,1-2H2/t9-/m1/s1
InChIKeyMLHNCHKLMZTLNH-SECBINFHSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one (CID 59593460) is (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one is O=C1[C@H](O)CCN1c1cc(F)cc(F)c1.
What is the InChIKey of (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is MLHNCHKLMZTLNH-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-6-3-7(12)5-8(4-6)13-2-1-9(14)10(13)15/h3-5,9,14H,1-2H2/t9-/m1/s1.
What are the key properties of (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one?
(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 213.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 59593460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).