2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine

C10H13ClF3N5O — CID 62970401

IUPAC2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C10H13ClF3N5O/c1-20-9-16-7(11)15-8(17-9)19-4-2-18(3-5-19)6-10(12,13)14/h2-6H2,1H3
InChIKeyJAMMZHFBOXJGGQ-UHFFFAOYSA-N
MW311.70 g/mol
LogP1.22
Rot. Bonds3

About 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine

2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine (PubChem CID 62970401) has the molecular formula C10H13ClF3N5O and a molecular weight of 311.70 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
PubChem CID62970401
Molecular FormulaC10H13ClF3N5O
Molecular Weight311.70 g/mol
Exact Mass311.08
IUPAC Name2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C10H13ClF3N5O/c1-20-9-16-7(11)15-8(17-9)19-4-2-18(3-5-19)6-10(12,13)14/h2-6H2,1H3
InChIKeyJAMMZHFBOXJGGQ-UHFFFAOYSA-N
XLogP1.22
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine (CID 62970401) is 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine is COc1nc(Cl)nc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine?
The InChIKey is JAMMZHFBOXJGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N5O/c1-20-9-16-7(11)15-8(17-9)19-4-2-18(3-5-19)6-10(12,13)14/h2-6H2,1H3.
What are the key properties of 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine?
2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine has a molecular weight of 311.70 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 62970401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).