N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine

C12H11ClF6N4O2 — CID 87601199

IUPACN-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(ON=C2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C12H11ClF6N4O2/c13-8-20-9(24-7(11(14,15)16)12(17,18)19)22-10(21-8)25-23-6-4-2-1-3-5-6/h7H,1-5H2
InChIKeyVFVKEXAVZDKRQW-UHFFFAOYSA-N
MW392.69 g/mol
LogP4.10
Rot. Bonds4

About N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine

N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine (PubChem CID 87601199) has the molecular formula C12H11ClF6N4O2 and a molecular weight of 392.69 g/mol. Its IUPAC name is N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine.

Molecular Properties

Compound NameN-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine
PubChem CID87601199
Molecular FormulaC12H11ClF6N4O2
Molecular Weight392.69 g/mol
Exact Mass392.05
IUPAC NameN-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine
SMILESFC(F)(F)C(Oc1nc(Cl)nc(ON=C2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C12H11ClF6N4O2/c13-8-20-9(24-7(11(14,15)16)12(17,18)19)22-10(21-8)25-23-6-4-2-1-3-5-6/h7H,1-5H2
InChIKeyVFVKEXAVZDKRQW-UHFFFAOYSA-N
XLogP4.10
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.69
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-methoxy-1,3,5-triazine
CID 102722071
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 102723608
N-pyrimidin-2-yloxycyclododecanimine
CID 151679989
N-(4-chlorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 550635
6-(cyclohexylideneamino)oxy-2-N-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 2827789
N-benzyl-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 571775
N-[[4-chloro-6-(cyclotridecen-1-ylamino)oxy-1,3,5-triazin-2-yl]oxy]cyclotridecen-1-amine
CID 91221238
6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine
CID 102723602
2-chloro-4-propan-2-yloxy-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 172576480
2-but-3-yn-2-yloxy-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106794790
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102723624
4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863275

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The IUPAC name of N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine (CID 87601199) is N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine.
What is the SMILES notation for N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The canonical SMILES for N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine is FC(F)(F)C(Oc1nc(Cl)nc(ON=C2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
The InChIKey is VFVKEXAVZDKRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF6N4O2/c13-8-20-9(24-7(11(14,15)16)12(17,18)19)22-10(21-8)25-23-6-4-2-1-3-5-6/h7H,1-5H2.
What are the key properties of N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine?
N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine has a molecular weight of 392.69 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]oxy]cyclohexanimine is sourced from PubChem (CID 87601199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).