2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine

C8H9F3N2 — CID 142253950

IUPAC2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine
SMILESCC1=CN=CC(C)(C(F)(F)F)N=C1
InChIInChI=1S/C8H9F3N2/c1-6-3-12-5-7(2,13-4-6)8(9,10)11/h3-5H,1-2H3
InChIKeyGSICMCQYHWJCQC-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.37
Rot. Bonds

About 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine

2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine (PubChem CID 142253950) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine.

Molecular Properties

Compound Name2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine
PubChem CID142253950
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine
SMILESCC1=CN=CC(C)(C(F)(F)F)N=C1
InChIInChI=1S/C8H9F3N2/c1-6-3-12-5-7(2,13-4-6)8(9,10)11/h3-5H,1-2H3
InChIKeyGSICMCQYHWJCQC-UHFFFAOYSA-N
XLogP2.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine?
The IUPAC name of 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine (CID 142253950) is 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine.
What is the SMILES notation for 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine?
The canonical SMILES for 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine is CC1=CN=CC(C)(C(F)(F)F)N=C1.
What is the InChIKey of 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine?
The InChIKey is GSICMCQYHWJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-6-3-12-5-7(2,13-4-6)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine?
2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine has a molecular weight of 190.17 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(trifluoromethyl)-1,4-diazepine is sourced from PubChem (CID 142253950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).