2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine

C7H7ClF3N3O2 — CID 82954469

IUPAC2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O2/c1-15-5-12-4(8)13-6(14-5)16-3-2-7(9,10)11/h2-3H2,1H3
InChIKeyIKHWUZNVXOFXDU-UHFFFAOYSA-N
MW257.60 g/mol
LogP1.86
Rot. Bonds4

About 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine

2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine (PubChem CID 82954469) has the molecular formula C7H7ClF3N3O2 and a molecular weight of 257.60 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
PubChem CID82954469
Molecular FormulaC7H7ClF3N3O2
Molecular Weight257.60 g/mol
Exact Mass257.02
IUPAC Name2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCC(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3O2/c1-15-5-12-4(8)13-6(14-5)16-3-2-7(9,10)11/h2-3H2,1H3
InChIKeyIKHWUZNVXOFXDU-UHFFFAOYSA-N
XLogP1.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine (CID 82954469) is 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine is COc1nc(Cl)nc(OCCC(F)(F)F)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
The InChIKey is IKHWUZNVXOFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O2/c1-15-5-12-4(8)13-6(14-5)16-3-2-7(9,10)11/h2-3H2,1H3.
What are the key properties of 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine?
2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine has a molecular weight of 257.60 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 82954469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).