(5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one

C5H7F2NO2 — CID 11768754

IUPAC(5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)CC1(F)F
InChIInChI=1S/C5H7F2NO2/c6-5(7)1-3(2-9)8-4(5)10/h3,9H,1-2H2,(H,8,10)/t3-/m0/s1
InChIKeyCMRXZAKSZIVSCC-VKHMYHEASA-N
MW151.11 g/mol
LogP-0.50
Rot. Bonds1

About (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one

(5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 11768754) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID11768754
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name(5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)CC1(F)F
InChIInChI=1S/C5H7F2NO2/c6-5(7)1-3(2-9)8-4(5)10/h3,9H,1-2H2,(H,8,10)/t3-/m0/s1
InChIKeyCMRXZAKSZIVSCC-VKHMYHEASA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one (CID 11768754) is (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one is O=C1N[C@H](CO)CC1(F)F.
What is the InChIKey of (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is CMRXZAKSZIVSCC-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)1-3(2-9)8-4(5)10/h3,9H,1-2H2,(H,8,10)/t3-/m0/s1.
What are the key properties of (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
(5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 11768754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).