4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine

C7H6F3N3 — CID 171999318

IUPAC4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine
SMILESFc1cncnc1N1CC(F)(F)C1
InChIInChI=1S/C7H6F3N3/c8-5-1-11-4-12-6(5)13-2-7(9,10)3-13/h1,4H,2-3H2
InChIKeyMNFHEFSBWOXAGD-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.07
Rot. Bonds1

About 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine

4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine (PubChem CID 171999318) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine
PubChem CID171999318
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine
SMILESFc1cncnc1N1CC(F)(F)C1
InChIInChI=1S/C7H6F3N3/c8-5-1-11-4-12-6(5)13-2-7(9,10)3-13/h1,4H,2-3H2
InChIKeyMNFHEFSBWOXAGD-UHFFFAOYSA-N
XLogP1.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine (CID 171999318) is 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine is Fc1cncnc1N1CC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine?
The InChIKey is MNFHEFSBWOXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-5-1-11-4-12-6(5)13-2-7(9,10)3-13/h1,4H,2-3H2.
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine?
4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine has a molecular weight of 189.14 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 171999318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).