1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine

C9H11F6N5 — CID 162453115

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

About 1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine

1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine (PubChem CID 162453115) 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]-6-[(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]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
PubChem CID162453115
Molecular FormulaC9H11F6N5
Molecular Weight303.21 g/mol
Exact Mass303.09
IUPAC Name1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
SMILESC[C@@H](/N=c1\ncnc(N)n1[C@H](C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F6N5/c1-4(8(10,11)12)19-7-18-3-17-6(16)20(7)5(2)9(13,14)15/h3-5H,1-2H3,(H2,16,17,18,19)/t4-,5-/m1/s1
InChIKeyRAGXEKJWTRUEGI-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

Analyze 1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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
5-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453116
4-Imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 175042926
1-carbamimidoyl-1,2-bis[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210307
2-Methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358423
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
1-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363432
2-Ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364569
1-Propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364796
1,2-Di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364797
1-Methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
CID 64246073
3-(Diaminomethylidene)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031931

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(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]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine (CID 162453115) is 1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(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]-6-[(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]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine is C[C@@H](/N=c1\ncnc(N)n1[C@H](C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine?
The InChIKey is RAGXEKJWTRUEGI-RFZPGFLSSA-N. The full InChI is InChI=1S/C9H11F6N5/c1-4(8(10,11)12)19-7-18-3-17-6(16)20(7)5(2)9(13,14)15/h3-5H,1-2H3,(H2,16,17,18,19)/t4-,5-/m1/s1.
What are the key properties of 1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine?
1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(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]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine is sourced from PubChem (CID 162453115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).