4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C6H4ClF5N4O — CID 19006222

IUPAC4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF5N4O/c1-13-3-14-2(5(8,9)10)15-4(16-3)17-6(7,11)12/h1H3,(H,13,14,15,16)
InChIKeyCVVHOFDMIDITLN-UHFFFAOYSA-N
MW278.57 g/mol
LogP2.10
Rot. Bonds3

About 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 19006222) has the molecular formula C6H4ClF5N4O and a molecular weight of 278.57 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID19006222
Molecular FormulaC6H4ClF5N4O
Molecular Weight278.57 g/mol
Exact Mass278.00
IUPAC Name4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF5N4O/c1-13-3-14-2(5(8,9)10)15-4(16-3)17-6(7,11)12/h1H3,(H,13,14,15,16)
InChIKeyCVVHOFDMIDITLN-UHFFFAOYSA-N
XLogP2.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.57
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 19006222) is 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CNc1nc(OC(F)(F)Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is CVVHOFDMIDITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF5N4O/c1-13-3-14-2(5(8,9)10)15-4(16-3)17-6(7,11)12/h1H3,(H,13,14,15,16).
What are the key properties of 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 278.57 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-N-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).