3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one

C6H9F2NO2 — CID 135231042

IUPAC3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1NC(CCO)CC1(F)F
InChIInChI=1S/C6H9F2NO2/c7-6(8)3-4(1-2-10)9-5(6)11/h4,10H,1-3H2,(H,9,11)
InChIKeyPFJOYEABKGVXOC-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.11
Rot. Bonds2

About 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one

3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 135231042) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID135231042
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1NC(CCO)CC1(F)F
InChIInChI=1S/C6H9F2NO2/c7-6(8)3-4(1-2-10)9-5(6)11/h4,10H,1-3H2,(H,9,11)
InChIKeyPFJOYEABKGVXOC-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one (CID 135231042) is 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one is O=C1NC(CCO)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is PFJOYEABKGVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)3-4(1-2-10)9-5(6)11/h4,10H,1-3H2,(H,9,11).
What are the key properties of 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one?
3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 165.14 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 135231042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).