6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C8H13F2N5 — CID 70467120

IUPAC6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(C(F)F)n1
InChIInChI=1S/C8H13F2N5/c1-3-11-7-13-6(5(9)10)14-8(15-7)12-4-2/h5H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyBZOQUCPKFILWHK-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.67
Rot. Bonds5

About 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 70467120) has the molecular formula C8H13F2N5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID70467120
Molecular FormulaC8H13F2N5
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(C(F)F)n1
InChIInChI=1S/C8H13F2N5/c1-3-11-7-13-6(5(9)10)14-8(15-7)12-4-2/h5H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyBZOQUCPKFILWHK-UHFFFAOYSA-N
XLogP1.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
s-Triazine, 2-methyl-4-methylamino-6-(trifluoromethyl)-
CID 3041947
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-6-(trifluoromethyl)-
CID 3041966
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
N~2~,N~4~,6-Trimethyl-1,3,5-triazine-2,4-diamine
CID 16085
4,6-Bis(ethylamino)-1,3,5-triazine-2-carbonitrile
CID 30245
N,4,6-Trimethyl-1,3,5-triazin-2-amine
CID 20658992

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 70467120) is 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BZOQUCPKFILWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N5/c1-3-11-7-13-6(5(9)10)14-8(15-7)12-4-2/h5H,3-4H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 217.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70467120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).