1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine

C8H11F3N2 — CID 89012394

IUPAC1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine
SMILESCNC1=CCC(C(F)(F)F)C=C1N
InChIInChI=1S/C8H11F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h3-5,13H,2,12H2,1H3
InChIKeySTFMQLJUZDSIIN-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.51
Rot. Bonds1

About 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine

1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine (PubChem CID 89012394) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine
PubChem CID89012394
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine
SMILESCNC1=CCC(C(F)(F)F)C=C1N
InChIInChI=1S/C8H11F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h3-5,13H,2,12H2,1H3
InChIKeySTFMQLJUZDSIIN-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine?
The IUPAC name of 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine (CID 89012394) is 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine?
The canonical SMILES for 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine is CNC1=CCC(C(F)(F)F)C=C1N.
What is the InChIKey of 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine?
The InChIKey is STFMQLJUZDSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h3-5,13H,2,12H2,1H3.
What are the key properties of 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine?
1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine has a molecular weight of 192.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-(trifluoromethyl)cyclohexa-2,6-diene-1,2-diamine is sourced from PubChem (CID 89012394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).