2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one

C10H17F2NO2 — CID 86073344

IUPAC2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)C(O)C(F)(F)C(=O)N1CCCC1
InChIInChI=1S/C10H17F2NO2/c1-7(2)8(14)10(11,12)9(15)13-5-3-4-6-13/h7-8,14H,3-6H2,1-2H3
InChIKeyWBLPDXHWFRGHJH-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.26
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one

2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 86073344) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
PubChem CID86073344
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)C(O)C(F)(F)C(=O)N1CCCC1
InChIInChI=1S/C10H17F2NO2/c1-7(2)8(14)10(11,12)9(15)13-5-3-4-6-13/h7-8,14H,3-6H2,1-2H3
InChIKeyWBLPDXHWFRGHJH-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one (CID 86073344) is 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one is CC(C)C(O)C(F)(F)C(=O)N1CCCC1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is WBLPDXHWFRGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(2)8(14)10(11,12)9(15)13-5-3-4-6-13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one?
2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 221.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 86073344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).