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

C4H2ClF2N3O — CID 19104360

IUPAC2-[chloro(difluoro)methoxy]-1,3,5-triazine
SMILESFC(F)(Cl)Oc1ncncn1
InChIInChI=1S/C4H2ClF2N3O/c5-4(6,7)11-3-9-1-8-2-10-3/h1-2H
InChIKeyKRRWYCYPFDPTSG-UHFFFAOYSA-N
MW181.53 g/mol
LogP1.04
Rot. Bonds2

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

2-[chloro(difluoro)methoxy]-1,3,5-triazine (PubChem CID 19104360) has the molecular formula C4H2ClF2N3O and a molecular weight of 181.53 g/mol. Its IUPAC name is 2-[chloro(difluoro)methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-[chloro(difluoro)methoxy]-1,3,5-triazine
PubChem CID19104360
Molecular FormulaC4H2ClF2N3O
Molecular Weight181.53 g/mol
Exact Mass180.99
IUPAC Name2-[chloro(difluoro)methoxy]-1,3,5-triazine
SMILESFC(F)(Cl)Oc1ncncn1
InChIInChI=1S/C4H2ClF2N3O/c5-4(6,7)11-3-9-1-8-2-10-3/h1-2H
InChIKeyKRRWYCYPFDPTSG-UHFFFAOYSA-N
XLogP1.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.53
LogP ≤ 51.04
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-Chloro-4-fluoro-1,3,5-triazine
CID 54066451
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Fluoro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104341
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
2,4-Bis(trifluoromethoxy)-1,3,5-triazine
CID 19104346
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 56981742
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
2,4-Bis(difluoromethoxy)-1,3,5-triazine
CID 91351378

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methoxy]-1,3,5-triazine?
The IUPAC name of 2-[chloro(difluoro)methoxy]-1,3,5-triazine (CID 19104360) is 2-[chloro(difluoro)methoxy]-1,3,5-triazine.
What is the SMILES notation for 2-[chloro(difluoro)methoxy]-1,3,5-triazine?
The canonical SMILES for 2-[chloro(difluoro)methoxy]-1,3,5-triazine is FC(F)(Cl)Oc1ncncn1.
What is the InChIKey of 2-[chloro(difluoro)methoxy]-1,3,5-triazine?
The InChIKey is KRRWYCYPFDPTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF2N3O/c5-4(6,7)11-3-9-1-8-2-10-3/h1-2H.
What are the key properties of 2-[chloro(difluoro)methoxy]-1,3,5-triazine?
2-[chloro(difluoro)methoxy]-1,3,5-triazine has a molecular weight of 181.53 g/mol, XLogP of 1.04, 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]-1,3,5-triazine is sourced from PubChem (CID 19104360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).