2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine

C8H12F3N3 — CID 162565879

IUPAC2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine
SMILESCNC1=C(N)CC(C(F)(F)F)C=C1N
InChIInChI=1S/C8H12F3N3/c1-14-7-5(12)2-4(3-6(7)13)8(9,10)11/h2,4,14H,3,12-13H2,1H3
InChIKeyAWRLMGUZAZRVBB-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.80
Rot. Bonds1

About 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine

2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine (PubChem CID 162565879) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine.

Molecular Properties

Compound Name2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine
PubChem CID162565879
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine
SMILESCNC1=C(N)CC(C(F)(F)F)C=C1N
InChIInChI=1S/C8H12F3N3/c1-14-7-5(12)2-4(3-6(7)13)8(9,10)11/h2,4,14H,3,12-13H2,1H3
InChIKeyAWRLMGUZAZRVBB-UHFFFAOYSA-N
XLogP0.80
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine?
The IUPAC name of 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine (CID 162565879) is 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine.
What is the SMILES notation for 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine?
The canonical SMILES for 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine is CNC1=C(N)CC(C(F)(F)F)C=C1N.
What is the InChIKey of 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine?
The InChIKey is AWRLMGUZAZRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-14-7-5(12)2-4(3-6(7)13)8(9,10)11/h2,4,14H,3,12-13H2,1H3.
What are the key properties of 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine?
2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine has a molecular weight of 207.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene-1,2,3-triamine is sourced from PubChem (CID 162565879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).