1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine

C9H11F6N5 — CID 162453113

IUPAC1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
SMILESC[C@@H](/N=c1\ncn([C@H](C)C(F)(F)F)c(N)n1)C(F)(F)F
InChIInChI=1S/C9H11F6N5/c1-4(8(10,11)12)18-7-17-3-20(6(16)19-7)5(2)9(13,14)15/h3-5H,1-2H3,(H2,16,18,19)/t4-,5-/m1/s1
InChIKeyDBBPBSZQDRVRPA-RFZPGFLSSA-N
MW303.21 g/mol
LogP1.84
Rot. Bonds2

About 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine

1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine (PubChem CID 162453113) has the molecular formula C9H11F6N5 and a molecular weight of 303.21 g/mol. Its IUPAC name is 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
PubChem CID162453113
Molecular FormulaC9H11F6N5
Molecular Weight303.21 g/mol
Exact Mass303.09
IUPAC Name1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
SMILESC[C@@H](/N=c1\ncn([C@H](C)C(F)(F)F)c(N)n1)C(F)(F)F
InChIInChI=1S/C9H11F6N5/c1-4(8(10,11)12)18-7-17-3-20(6(16)19-7)5(2)9(13,14)15/h3-5H,1-2H3,(H2,16,18,19)/t4-,5-/m1/s1
InChIKeyDBBPBSZQDRVRPA-RFZPGFLSSA-N
XLogP1.84
TPSA69.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine?
The IUPAC name of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine (CID 162453113) is 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine.
What is the SMILES notation for 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine?
The canonical SMILES for 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine is C[C@@H](/N=c1\ncn([C@H](C)C(F)(F)F)c(N)n1)C(F)(F)F.
What is the InChIKey of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine?
The InChIKey is DBBPBSZQDRVRPA-RFZPGFLSSA-N. The full InChI is InChI=1S/C9H11F6N5/c1-4(8(10,11)12)18-7-17-3-20(6(16)19-7)5(2)9(13,14)15/h3-5H,1-2H3,(H2,16,18,19)/t4-,5-/m1/s1.
What are the key properties of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine?
1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine has a molecular weight of 303.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine is sourced from PubChem (CID 162453113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).