(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one

C10H10F3N3O — CID 141420676

IUPAC(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one
SMILESC[C@H](F)C1CNC(=O)[C@H]1c1nc(F)ncc1F
InChIInChI=1S/C10H10F3N3O/c1-4(11)5-2-14-9(17)7(5)8-6(12)3-15-10(13)16-8/h3-5,7H,2H2,1H3,(H,14,17)/t4-,5?,7+/m0/s1
InChIKeyYWHPSSDLGPHUOT-RMIHLSNLSA-N
MW245.20 g/mol
LogP0.94
Rot. Bonds2

About (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one

(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one (PubChem CID 141420676) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one
PubChem CID141420676
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one
SMILESC[C@H](F)C1CNC(=O)[C@H]1c1nc(F)ncc1F
InChIInChI=1S/C10H10F3N3O/c1-4(11)5-2-14-9(17)7(5)8-6(12)3-15-10(13)16-8/h3-5,7H,2H2,1H3,(H,14,17)/t4-,5?,7+/m0/s1
InChIKeyYWHPSSDLGPHUOT-RMIHLSNLSA-N
XLogP0.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one (CID 141420676) is (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one is C[C@H](F)C1CNC(=O)[C@H]1c1nc(F)ncc1F.
What is the InChIKey of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one?
The InChIKey is YWHPSSDLGPHUOT-RMIHLSNLSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-4(11)5-2-14-9(17)7(5)8-6(12)3-15-10(13)16-8/h3-5,7H,2H2,1H3,(H,14,17)/t4-,5?,7+/m0/s1.
What are the key properties of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one?
(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one is sourced from PubChem (CID 141420676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).