2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine

C11H13ClF3N3 — CID 141420570

IUPAC2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine
SMILESC[C@@H](C(F)F)C1CNC[C@H]1c1nc(Cl)ncc1F
InChIInChI=1S/C11H13ClF3N3/c1-5(10(14)15)6-2-16-3-7(6)9-8(13)4-17-11(12)18-9/h4-7,10,16H,2-3H2,1H3/t5-,6?,7-/m1/s1
InChIKeyPJQKFGKGFLWLLK-YFBHCESUSA-N
MW279.69 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine

2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine (PubChem CID 141420570) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine
PubChem CID141420570
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine
SMILESC[C@@H](C(F)F)C1CNC[C@H]1c1nc(Cl)ncc1F
InChIInChI=1S/C11H13ClF3N3/c1-5(10(14)15)6-2-16-3-7(6)9-8(13)4-17-11(12)18-9/h4-7,10,16H,2-3H2,1H3/t5-,6?,7-/m1/s1
InChIKeyPJQKFGKGFLWLLK-YFBHCESUSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine (CID 141420570) is 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine is C[C@@H](C(F)F)C1CNC[C@H]1c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine?
The InChIKey is PJQKFGKGFLWLLK-YFBHCESUSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-5(10(14)15)6-2-16-3-7(6)9-8(13)4-17-11(12)18-9/h4-7,10,16H,2-3H2,1H3/t5-,6?,7-/m1/s1.
What are the key properties of 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine?
2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine has a molecular weight of 279.69 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3S)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-3-yl]-5-fluoropyrimidine is sourced from PubChem (CID 141420570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).