2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine

C4HClF3N3O — CID 151613351

IUPAC2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine
SMILESFc1nc(Cl)nc(OC(F)F)n1
InChIInChI=1S/C4HClF3N3O/c5-1-9-3(8)11-4(10-1)12-2(6)7/h2H
InChIKeyQMYSNXPQXRBAQO-UHFFFAOYSA-N
MW199.52 g/mol
LogP1.27
Rot. Bonds2

About 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine

2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine (PubChem CID 151613351) has the molecular formula C4HClF3N3O and a molecular weight of 199.52 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine
PubChem CID151613351
Molecular FormulaC4HClF3N3O
Molecular Weight199.52 g/mol
Exact Mass198.98
IUPAC Name2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine
SMILESFc1nc(Cl)nc(OC(F)F)n1
InChIInChI=1S/C4HClF3N3O/c5-1-9-3(8)11-4(10-1)12-2(6)7/h2H
InChIKeyQMYSNXPQXRBAQO-UHFFFAOYSA-N
XLogP1.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.52
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-(trifluoromethoxy)-1,3,5-triazine
CID 10966416
2,4-Difluoro-6-methoxy-1,3,5-triazine
CID 15010385
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
1,3,5-Triazine, 2,4-difluoro-6-(trifluoromethoxy)-
CID 15010387
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
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine (CID 151613351) is 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine is Fc1nc(Cl)nc(OC(F)F)n1.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine?
The InChIKey is QMYSNXPQXRBAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF3N3O/c5-1-9-3(8)11-4(10-1)12-2(6)7/h2H.
What are the key properties of 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine?
2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine has a molecular weight of 199.52 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-6-fluoro-1,3,5-triazine is sourced from PubChem (CID 151613351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).