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

C4ClF4N3O — CID 10921951

IUPAC2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
SMILESFc1nc(F)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4ClF4N3O/c5-4(8,9)13-3-11-1(6)10-2(7)12-3
InChIKeyAHDHBQQCBMMSBT-UHFFFAOYSA-N
MW217.51 g/mol
LogP1.32
Rot. Bonds2

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

2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine (PubChem CID 10921951) has the molecular formula C4ClF4N3O and a molecular weight of 217.51 g/mol. Its IUPAC name is 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
PubChem CID10921951
Molecular FormulaC4ClF4N3O
Molecular Weight217.51 g/mol
Exact Mass216.97
IUPAC Name2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine
SMILESFc1nc(F)nc(OC(F)(F)Cl)n1
InChIInChI=1S/C4ClF4N3O/c5-4(8,9)13-3-11-1(6)10-2(7)12-3
InChIKeyAHDHBQQCBMMSBT-UHFFFAOYSA-N
XLogP1.32
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.51
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
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
1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CID 15010387
2-Amino-4-fluoro-6-trifluoromethoxy-1,3,5-triazin
CID 15010388
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 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine?
The IUPAC name of 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine (CID 10921951) is 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine.
What is the SMILES notation for 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine?
The canonical SMILES for 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine is Fc1nc(F)nc(OC(F)(F)Cl)n1.
What is the InChIKey of 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine?
The InChIKey is AHDHBQQCBMMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF4N3O/c5-4(8,9)13-3-11-1(6)10-2(7)12-3.
What are the key properties of 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine?
2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine has a molecular weight of 217.51 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methoxy]-4,6-difluoro-1,3,5-triazine is sourced from PubChem (CID 10921951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).