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

C4H2ClF3N4O — CID 11009320

IUPAC4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
SMILESNc1nc(F)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4H2ClF3N4O/c5-4(7,8)13-3-11-1(6)10-2(9)12-3/h(H2,9,10,11,12)
InChIKeyDXYLHMSVOPOYJJ-UHFFFAOYSA-N
MW214.53 g/mol
LogP0.76
Rot. Bonds2

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

4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine (PubChem CID 11009320) has the molecular formula C4H2ClF3N4O and a molecular weight of 214.53 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
PubChem CID11009320
Molecular FormulaC4H2ClF3N4O
Molecular Weight214.53 g/mol
Exact Mass213.99
IUPAC Name4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine
SMILESNc1nc(F)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4H2ClF3N4O/c5-4(7,8)13-3-11-1(6)10-2(9)12-3/h(H2,9,10,11,12)
InChIKeyDXYLHMSVOPOYJJ-UHFFFAOYSA-N
XLogP0.76
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.53
LogP ≤ 50.76
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
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-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
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(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine (CID 11009320) is 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine is Nc1nc(F)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine?
The InChIKey is DXYLHMSVOPOYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3N4O/c5-4(7,8)13-3-11-1(6)10-2(9)12-3/h(H2,9,10,11,12).
What are the key properties of 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine?
4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine has a molecular weight of 214.53 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-6-fluoro-1,3,5-triazin-2-amine is sourced from PubChem (CID 11009320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).