6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C7H6F7N5 — CID 10447086

IUPAC6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESFc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C7H6F7N5/c8-3-17-4(15-1-6(9,10)11)19-5(18-3)16-2-7(12,13)14/h1-2H2,(H2,15,16,17,18,19)
InChIKeyFVVGXHNNBOEVKF-UHFFFAOYSA-N
MW293.15 g/mol
LogP1.96
Rot. Bonds4

About 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10447086) has the molecular formula C7H6F7N5 and a molecular weight of 293.15 g/mol. Its IUPAC name is 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID10447086
Molecular FormulaC7H6F7N5
Molecular Weight293.15 g/mol
Exact Mass293.05
IUPAC Name6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESFc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C7H6F7N5/c8-3-17-4(15-1-6(9,10)11)19-5(18-3)16-2-7(12,13)14/h1-2H2,(H2,15,16,17,18,19)
InChIKeyFVVGXHNNBOEVKF-UHFFFAOYSA-N
XLogP1.96
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 10447086) is 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is Fc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1.
What is the InChIKey of 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FVVGXHNNBOEVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7N5/c8-3-17-4(15-1-6(9,10)11)19-5(18-3)16-2-7(12,13)14/h1-2H2,(H2,15,16,17,18,19).
What are the key properties of 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.15 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10447086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).