2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine

C11H15F6N5 — CID 175001140

IUPAC2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(CC)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C11H15F6N5/c1-3-5(10(12,13)14)7-20-8(18)22-9(21-7)19-6(4-2)11(15,16)17/h5-6H,3-4H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyHAKMIOVKYDYUCJ-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.26
Rot. Bonds5

About 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine

2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175001140) has the molecular formula C11H15F6N5 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175001140
Molecular FormulaC11H15F6N5
Molecular Weight331.26 g/mol
Exact Mass331.12
IUPAC Name2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(CC)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C11H15F6N5/c1-3-5(10(12,13)14)7-20-8(18)22-9(21-7)19-6(4-2)11(15,16)17/h5-6H,3-4H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyHAKMIOVKYDYUCJ-UHFFFAOYSA-N
XLogP3.26
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 175001140) is 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(C(CC)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HAKMIOVKYDYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6N5/c1-3-5(10(12,13)14)7-20-8(18)22-9(21-7)19-6(4-2)11(15,16)17/h5-6H,3-4H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 331.26 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175001140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).