6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine

C4H4ClF2N5O — CID 10867578

IUPAC6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4H4ClF2N5O/c5-4(6,7)13-3-11-1(8)10-2(9)12-3/h(H4,8,9,10,11,12)
InChIKeyUPYJLALLSAXXRT-UHFFFAOYSA-N
MW211.56 g/mol
LogP0.20
Rot. Bonds2

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

6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine (PubChem CID 10867578) has the molecular formula C4H4ClF2N5O and a molecular weight of 211.56 g/mol. Its IUPAC name is 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
PubChem CID10867578
Molecular FormulaC4H4ClF2N5O
Molecular Weight211.56 g/mol
Exact Mass211.01
IUPAC Name6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4H4ClF2N5O/c5-4(6,7)13-3-11-1(8)10-2(9)12-3/h(H4,8,9,10,11,12)
InChIKeyUPYJLALLSAXXRT-UHFFFAOYSA-N
XLogP0.20
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.56
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
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-Amino-4-fluoro-6-trifluoromethoxy-1,3,5-triazin
CID 15010388
4-[chloro(difluoro)methoxy]-6-fluoro-N-methyl-1,3,5-triazin-2-amine
CID 15010391
2-Amino-4-methoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010393
4-[Chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
CID 15010394
6-[chloro(difluoro)methoxy]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 15010398
6-[chloro(difluoro)methoxy]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 15010400
4-Chloro-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006211
4-Chloro-6-[chloro(difluoro)methoxy]-1,3,5-triazin-2-amine
CID 19006213
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine (CID 10867578) is 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine?
The InChIKey is UPYJLALLSAXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF2N5O/c5-4(6,7)13-3-11-1(8)10-2(9)12-3/h(H4,8,9,10,11,12).
What are the key properties of 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine?
6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine has a molecular weight of 211.56 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10867578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).