2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine

C12H11F8N3O — CID 101034462

IUPAC2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFc1nc(OC2CCCCC2)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H11F8N3O/c13-8-21-7(10(14,11(15,16)17)12(18,19)20)22-9(23-8)24-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyQQNQYPQOSWOOBE-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.01
Rot. Bonds3

About 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine

2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (PubChem CID 101034462) has the molecular formula C12H11F8N3O and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
PubChem CID101034462
Molecular FormulaC12H11F8N3O
Molecular Weight365.22 g/mol
Exact Mass365.08
IUPAC Name2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine
SMILESFc1nc(OC2CCCCC2)nc(C(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C12H11F8N3O/c13-8-21-7(10(14,11(15,16)17)12(18,19)20)22-9(23-8)24-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyQQNQYPQOSWOOBE-UHFFFAOYSA-N
XLogP4.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine (CID 101034462) is 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is Fc1nc(OC2CCCCC2)nc(C(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
The InChIKey is QQNQYPQOSWOOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F8N3O/c13-8-21-7(10(14,11(15,16)17)12(18,19)20)22-9(23-8)24-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine?
2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine has a molecular weight of 365.22 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-fluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,5-triazine is sourced from PubChem (CID 101034462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).