2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine

C14H8Cl3N3O — CID 150914952

IUPAC2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1ncnc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C14H8Cl3N3O/c15-14(16,17)12-18-8-19-13(20-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyLCUHBLYFXNIWSR-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.64
Rot. Bonds2

About 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine

2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine (PubChem CID 150914952) has the molecular formula C14H8Cl3N3O and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine
PubChem CID150914952
Molecular FormulaC14H8Cl3N3O
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1ncnc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C14H8Cl3N3O/c15-14(16,17)12-18-8-19-13(20-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyLCUHBLYFXNIWSR-UHFFFAOYSA-N
XLogP4.64
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702
4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine
CID 80869028
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
1-(3-chloropropoxy)naphthalene
CID 12685615
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
2-(chloromethyl)-4-naphthalen-1-yloxypyridine
CID 61269548
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine (CID 150914952) is 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1ncnc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine?
The InChIKey is LCUHBLYFXNIWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O/c15-14(16,17)12-18-8-19-13(20-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H.
What are the key properties of 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine?
2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine has a molecular weight of 340.60 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 150914952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).