4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine

C17H10F5N5O — CID 174960191

IUPAC4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESFc1cccc(F)c1-c1ncnc(NN=Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H10F5N5O/c18-12-2-1-3-13(19)14(12)15-23-9-24-16(26-15)27-25-8-10-4-6-11(7-5-10)28-17(20,21)22/h1-9H,(H,23,24,26,27)
InChIKeyHJXBXEQVLSQEGA-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.16
Rot. Bonds5

About 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine

4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine (PubChem CID 174960191) has the molecular formula C17H10F5N5O and a molecular weight of 395.29 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
PubChem CID174960191
Molecular FormulaC17H10F5N5O
Molecular Weight395.29 g/mol
Exact Mass395.08
IUPAC Name4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
SMILESFc1cccc(F)c1-c1ncnc(NN=Cc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H10F5N5O/c18-12-2-1-3-13(19)14(12)15-23-9-24-16(26-15)27-25-8-10-4-6-11(7-5-10)28-17(20,21)22/h1-9H,(H,23,24,26,27)
InChIKeyHJXBXEQVLSQEGA-UHFFFAOYSA-N
XLogP4.16
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
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

6-(2-chloro-6-fluorophenyl)-4-N-(4-chlorophenyl)-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065269
6-(2-chloro-6-fluorophenyl)-4-N-(3,4-dichlorophenyl)-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 88580134
6-(2-chloro-6-fluorophenyl)-4-N-[(4-chlorophenyl)methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 87103882
4-N-(2-aminoethyl)-6-(2-chloro-6-fluorophenyl)-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 66679399
6-(2-chloro-6-fluorophenyl)-4-N-[(6-chloro-3-pyridinyl)methyl]-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 86661469
4-N-(4-chlorophenyl)-6-(2-fluorophenyl)-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 66679167
4-N-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-N-[(Z)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 87103844
6-[2-chloro-6-(methylidene-λ3-iodanyl)phenyl]-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
CID 172933742
4-N-(4-chlorophenyl)-6-(2,6-difluorophenyl)-2-N-[(E)-(4-methylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
CID 58065235
N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
CID 121223490
4-N-(5-chloro-2-pyridinyl)-6-phenyl-2-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyrimidine-2,4-diamine
CID 66679320
6-N-(2-methoxyethyl)-4-N-[4-(trifluoromethoxy)phenyl]-2-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 25260696

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine (CID 174960191) is 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine is Fc1cccc(F)c1-c1ncnc(NN=Cc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
The InChIKey is HJXBXEQVLSQEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N5O/c18-12-2-1-3-13(19)14(12)15-23-9-24-16(26-15)27-25-8-10-4-6-11(7-5-10)28-17(20,21)22/h1-9H,(H,23,24,26,27).
What are the key properties of 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine?
4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine has a molecular weight of 395.29 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine is sourced from PubChem (CID 174960191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).