(3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one

C10H11F2N3O — CID 141420577

IUPAC(3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one
SMILESC[C@@H](F)C1CNC(=O)[C@H]1c1ccnc(F)n1
InChIInChI=1S/C10H11F2N3O/c1-5(11)6-4-14-9(16)8(6)7-2-3-13-10(12)15-7/h2-3,5-6,8H,4H2,1H3,(H,14,16)/t5-,6?,8-/m1/s1
InChIKeyZAWPLSCMRGJHEP-ONHAXZMJSA-N
MW227.21 g/mol
LogP0.80
Rot. Bonds2

About (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one

(3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 141420577) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one
PubChem CID141420577
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name(3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one
SMILESC[C@@H](F)C1CNC(=O)[C@H]1c1ccnc(F)n1
InChIInChI=1S/C10H11F2N3O/c1-5(11)6-4-14-9(16)8(6)7-2-3-13-10(12)15-7/h2-3,5-6,8H,4H2,1H3,(H,14,16)/t5-,6?,8-/m1/s1
InChIKeyZAWPLSCMRGJHEP-ONHAXZMJSA-N
XLogP0.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one (CID 141420577) is (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one is C[C@@H](F)C1CNC(=O)[C@H]1c1ccnc(F)n1.
What is the InChIKey of (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is ZAWPLSCMRGJHEP-ONHAXZMJSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-5(11)6-4-14-9(16)8(6)7-2-3-13-10(12)15-7/h2-3,5-6,8H,4H2,1H3,(H,14,16)/t5-,6?,8-/m1/s1.
What are the key properties of (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one?
(3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 227.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(1R)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 141420577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).