(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one

C6H9F2NO2 — CID 118178829

IUPAC(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C6H9F2NO2/c1-11-3-4-2-6(7,8)5(10)9-4/h4H,2-3H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyCBTGWMNEYLPSDQ-SCSAIBSYSA-N
MW165.14 g/mol
LogP0.16
Rot. Bonds2

About (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one

(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one (PubChem CID 118178829) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one
PubChem CID118178829
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C6H9F2NO2/c1-11-3-4-2-6(7,8)5(10)9-4/h4H,2-3H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyCBTGWMNEYLPSDQ-SCSAIBSYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one (CID 118178829) is (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one is COC[C@H]1CC(F)(F)C(=O)N1.
What is the InChIKey of (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one?
The InChIKey is CBTGWMNEYLPSDQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-11-3-4-2-6(7,8)5(10)9-4/h4H,2-3H2,1H3,(H,9,10)/t4-/m1/s1.
What are the key properties of (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one?
(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one has a molecular weight of 165.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 118178829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).