6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine

C7H7F6N5O — CID 625950

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H7F6N5O/c1-15-4-16-3(14)17-5(18-4)19-2(6(8,9)10)7(11,12)13/h2H,1H3,(H3,14,15,16,17,18)
InChIKeyHHQVJFBUQNXMSZ-UHFFFAOYSA-N
MW291.16 g/mol
LogP1.37
Rot. Bonds3

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 625950) has the molecular formula C7H7F6N5O and a molecular weight of 291.16 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID625950
Molecular FormulaC7H7F6N5O
Molecular Weight291.16 g/mol
Exact Mass291.06
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H7F6N5O/c1-15-4-16-3(14)17-5(18-4)19-2(6(8,9)10)7(11,12)13/h2H,1H3,(H3,14,15,16,17,18)
InChIKeyHHQVJFBUQNXMSZ-UHFFFAOYSA-N
XLogP1.37
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
Stk076603
CID 1375559
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
4-[chloro(difluoro)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 19777640
4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777647
2-N-methyl-6-(1,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 19870950
2-N,2-N-dimethyl-6-(1,2,2,2-tetrafluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 53960150
2-N-methyl-6-(1,1,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 70351112

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 625950) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(N)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HHQVJFBUQNXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N5O/c1-15-4-16-3(14)17-5(18-4)19-2(6(8,9)10)7(11,12)13/h2H,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 625950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).