6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine

C6H8F3N5 — CID 175419385

IUPAC6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC(F)C(F)F)n1
InChIInChI=1S/C6H8F3N5/c7-2(4(8)9)1-3-12-5(10)14-6(11)13-3/h2,4H,1H2,(H4,10,11,12,13,14)
InChIKeyFVAJGXLTQTZTLT-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.18
Rot. Bonds3

About 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine

6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 175419385) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID175419385
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CC(F)C(F)F)n1
InChIInChI=1S/C6H8F3N5/c7-2(4(8)9)1-3-12-5(10)14-6(11)13-3/h2,4H,1H2,(H4,10,11,12,13,14)
InChIKeyFVAJGXLTQTZTLT-UHFFFAOYSA-N
XLogP0.18
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine (CID 175419385) is 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CC(F)C(F)F)n1.
What is the InChIKey of 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FVAJGXLTQTZTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c7-2(4(8)9)1-3-12-5(10)14-6(11)13-3/h2,4H,1H2,(H4,10,11,12,13,14).
What are the key properties of 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 207.16 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175419385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).