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

C7H4ClF6N3O2 — CID 102722071

IUPAC2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H4ClF6N3O2/c1-18-4-15-3(8)16-5(17-4)19-2(6(9,10)11)7(12,13)14/h2H,1H3
InChIKeyBCUQMTMZCUYWDB-UHFFFAOYSA-N
MW311.57 g/mol
LogP2.41
Rot. Bonds3

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

2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine (PubChem CID 102722071) has the molecular formula C7H4ClF6N3O2 and a molecular weight of 311.57 g/mol. Its IUPAC name is 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine
PubChem CID102722071
Molecular FormulaC7H4ClF6N3O2
Molecular Weight311.57 g/mol
Exact Mass310.99
IUPAC Name2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H4ClF6N3O2/c1-18-4-15-3(8)16-5(17-4)19-2(6(9,10)11)7(12,13)14/h2H,1H3
InChIKeyBCUQMTMZCUYWDB-UHFFFAOYSA-N
XLogP2.41
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine (CID 102722071) is 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine?
The InChIKey is BCUQMTMZCUYWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF6N3O2/c1-18-4-15-3(8)16-5(17-4)19-2(6(9,10)11)7(12,13)14/h2H,1H3.
What are the key properties of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine has a molecular weight of 311.57 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 102722071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).