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

C4H2Cl2F2N4O — CID 19006213

IUPAC4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4H2Cl2F2N4O/c5-1-10-2(9)12-3(11-1)13-4(6,7)8/h(H2,9,10,11,12)
InChIKeyMOAMZPWMCCXTCU-UHFFFAOYSA-N
MW230.99 g/mol
LogP1.28
Rot. Bonds2

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

4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine (PubChem CID 19006213) has the molecular formula C4H2Cl2F2N4O and a molecular weight of 230.99 g/mol. Its IUPAC name is 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
PubChem CID19006213
Molecular FormulaC4H2Cl2F2N4O
Molecular Weight230.99 g/mol
Exact Mass229.96
IUPAC Name4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4H2Cl2F2N4O/c5-1-10-2(9)12-3(11-1)13-4(6,7)8/h(H2,9,10,11,12)
InChIKeyMOAMZPWMCCXTCU-UHFFFAOYSA-N
XLogP1.28
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.99
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
2-[Chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
CID 10921951
4-[Chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
CID 11009320
2,4-Difluoro-6-(trichloromethoxy)-1,3,5-triazine
CID 15010386
2-Amino-4-fluoro-6-trifluoromethoxy-1,3,5-triazin
CID 15010388
4-[Chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
CID 15010394
4-Chloro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006211
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225
2-Chloro-4,6-bis(trifluoromethoxy)-1,3,5-triazine
CID 19104356
2,4-Dichloro-6-[chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104361
2-Chloro-4,6-bis[chloro(difluoro)methoxy]-1,3,5-triazine
CID 57134375

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine (CID 19006213) is 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
The InChIKey is MOAMZPWMCCXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2F2N4O/c5-1-10-2(9)12-3(11-1)13-4(6,7)8/h(H2,9,10,11,12).
What are the key properties of 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine?
4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine has a molecular weight of 230.99 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 19006213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).