2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C8H5ClF3N5O — CID 62870806

IUPAC2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C8H5ClF3N5O/c9-5-14-6(17-2-1-13-4-17)16-7(15-5)18-3-8(10,11)12/h1-2,4H,3H2
InChIKeyBGYCCOKMBCNSQV-UHFFFAOYSA-N
MW279.61 g/mol
LogP1.65
Rot. Bonds3

About 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 62870806) has the molecular formula C8H5ClF3N5O and a molecular weight of 279.61 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID62870806
Molecular FormulaC8H5ClF3N5O
Molecular Weight279.61 g/mol
Exact Mass279.01
IUPAC Name2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESFC(F)(F)COc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C8H5ClF3N5O/c9-5-14-6(17-2-1-13-4-17)16-7(15-5)18-3-8(10,11)12/h1-2,4H,3H2
InChIKeyBGYCCOKMBCNSQV-UHFFFAOYSA-N
XLogP1.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 62870806) is 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is FC(F)(F)COc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is BGYCCOKMBCNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5O/c9-5-14-6(17-2-1-13-4-17)16-7(15-5)18-3-8(10,11)12/h1-2,4H,3H2.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 279.61 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 62870806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).