2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine

C10H13ClF2N4 — CID 138469122

IUPAC2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine
SMILESCCCCc1nc(Cl)nc(N2CC(F)(F)C2)n1
InChIInChI=1S/C10H13ClF2N4/c1-2-3-4-7-14-8(11)16-9(15-7)17-5-10(12,13)6-17/h2-6H2,1H3
InChIKeyIODMTFWNGGDIRU-UHFFFAOYSA-N
MW262.69 g/mol
LogP2.32
Rot. Bonds4

About 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine

2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine (PubChem CID 138469122) has the molecular formula C10H13ClF2N4 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine
PubChem CID138469122
Molecular FormulaC10H13ClF2N4
Molecular Weight262.69 g/mol
Exact Mass262.08
IUPAC Name2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine
SMILESCCCCc1nc(Cl)nc(N2CC(F)(F)C2)n1
InChIInChI=1S/C10H13ClF2N4/c1-2-3-4-7-14-8(11)16-9(15-7)17-5-10(12,13)6-17/h2-6H2,1H3
InChIKeyIODMTFWNGGDIRU-UHFFFAOYSA-N
XLogP2.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine (CID 138469122) is 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine is CCCCc1nc(Cl)nc(N2CC(F)(F)C2)n1.
What is the InChIKey of 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine?
The InChIKey is IODMTFWNGGDIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N4/c1-2-3-4-7-14-8(11)16-9(15-7)17-5-10(12,13)6-17/h2-6H2,1H3.
What are the key properties of 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine?
2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine has a molecular weight of 262.69 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-6-(3,3-difluoroazetidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 138469122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).