6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine

C9H10F7N5 — CID 139685065

IUPAC6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCCC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H10F7N5/c10-7(8(11,12)13,9(14,15)16)3-1-2-4-19-5(17)21-6(18)20-4/h1-3H2,(H4,17,18,19,20,21)
InChIKeyDFQIGVCVHFPHHV-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.19
Rot. Bonds4

About 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine

6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine (PubChem CID 139685065) has the molecular formula C9H10F7N5 and a molecular weight of 321.20 g/mol. Its IUPAC name is 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
PubChem CID139685065
Molecular FormulaC9H10F7N5
Molecular Weight321.20 g/mol
Exact Mass321.08
IUPAC Name6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCCC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H10F7N5/c10-7(8(11,12)13,9(14,15)16)3-1-2-4-19-5(17)21-6(18)20-4/h1-3H2,(H4,17,18,19,20,21)
InChIKeyDFQIGVCVHFPHHV-UHFFFAOYSA-N
XLogP2.19
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine (CID 139685065) is 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCCC(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DFQIGVCVHFPHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F7N5/c10-7(8(11,12)13,9(14,15)16)3-1-2-4-19-5(17)21-6(18)20-4/h1-3H2,(H4,17,18,19,20,21).
What are the key properties of 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine?
6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 321.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139685065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).