difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine

C6H5F6N3 — CID 91071093

IUPACdifluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCc1nc(F)nc(C(F)(F)F)n1.FCF
InChIInChI=1S/C5H3F4N3.CH2F2/c1-2-10-3(5(7,8)9)12-4(6)11-2;2-1-3/h1H3;1H2
InChIKeyQUQIOPKSCVMAIJ-UHFFFAOYSA-N
MW233.11 g/mol
LogP2.22
Rot. Bonds

About difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine

difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 91071093) has the molecular formula C6H5F6N3 and a molecular weight of 233.11 g/mol. Its IUPAC name is difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Namedifluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID91071093
Molecular FormulaC6H5F6N3
Molecular Weight233.11 g/mol
Exact Mass233.04
IUPAC Namedifluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCc1nc(F)nc(C(F)(F)F)n1.FCF
InChIInChI=1S/C5H3F4N3.CH2F2/c1-2-10-3(5(7,8)9)12-4(6)11-2;2-1-3/h1H3;1H2
InChIKeyQUQIOPKSCVMAIJ-UHFFFAOYSA-N
XLogP2.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (CID 91071093) is difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is Cc1nc(F)nc(C(F)(F)F)n1.FCF.
What is the InChIKey of difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is QUQIOPKSCVMAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N3.CH2F2/c1-2-10-3(5(7,8)9)12-4(6)11-2;2-1-3/h1H3;1H2.
What are the key properties of difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 233.11 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;2-fluoro-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 91071093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).