2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine

C10H12F3N3 — CID 141420662

IUPAC2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine
SMILESC[C@@H](F)C1CNC[C@@H]1c1nc(F)ncc1F
InChIInChI=1S/C10H12F3N3/c1-5(11)6-2-14-3-7(6)9-8(12)4-15-10(13)16-9/h4-7,14H,2-3H2,1H3/t5-,6?,7+/m1/s1
InChIKeyNIPRXBIZNQRQLT-UYMSWOSGSA-N
MW231.22 g/mol
LogP1.42
Rot. Bonds2

About 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine

2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine (PubChem CID 141420662) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine
PubChem CID141420662
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine
SMILESC[C@@H](F)C1CNC[C@@H]1c1nc(F)ncc1F
InChIInChI=1S/C10H12F3N3/c1-5(11)6-2-14-3-7(6)9-8(12)4-15-10(13)16-9/h4-7,14H,2-3H2,1H3/t5-,6?,7+/m1/s1
InChIKeyNIPRXBIZNQRQLT-UYMSWOSGSA-N
XLogP1.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine (CID 141420662) is 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine is C[C@@H](F)C1CNC[C@@H]1c1nc(F)ncc1F.
What is the InChIKey of 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine?
The InChIKey is NIPRXBIZNQRQLT-UYMSWOSGSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-5(11)6-2-14-3-7(6)9-8(12)4-15-10(13)16-9/h4-7,14H,2-3H2,1H3/t5-,6?,7+/m1/s1.
What are the key properties of 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine?
2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine has a molecular weight of 231.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(3R)-4-[(1R)-1-fluoroethyl]pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 141420662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).