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

C5H7F2NO2 — CID 90025681

IUPAC(5R)-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-/m1/s1
InChIKeyCMRXZAKSZIVSCC-GSVOUGTGSA-N
MW151.11 g/mol
LogP-0.50
Rot. Bonds1

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

(5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 90025681) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID90025681
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name(5R)-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-/m1/s1
InChIKeyCMRXZAKSZIVSCC-GSVOUGTGSA-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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Related Compounds

(S)-5-(Hydroxymethyl)-2-pyrrolidinone
CID 643511
5-(Hydroxymethyl)pyrrolidin-2-one
CID 558359
(R)-(-)-5-(Hydroxymethyl)-2-pyrrolidinone
CID 7128291
(3S,4S,5S)-4-ethyl-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 118414580
(S)-3,3-Difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 11768754
(3R,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 10942467
(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 124674274
3,3-Difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 66621935
5-(Hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-2-one
CID 84072797
3-Fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 85325047
3,3-Difluoro-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 90054452
(5R)-3,3-difluoro-5-(methoxymethyl)pyrrolidin-2-one
CID 118178829

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one (CID 90025681) is (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one is O=C1N[C@@H](CO)CC1(F)F.
What is the InChIKey of (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is CMRXZAKSZIVSCC-GSVOUGTGSA-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-/m1/s1.
What are the key properties of (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one?
(5R)-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 (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 90025681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).