1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine

C8H11F3N2O — CID 142548117

IUPAC1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine
SMILESCC1(N)C=CC(OC(F)(F)F)=CC1N
InChIInChI=1S/C8H11F3N2O/c1-7(13)3-2-5(4-6(7)12)14-8(9,10)11/h2-4,6H,12-13H2,1H3
InChIKeyWQOIVDSWCFRQKT-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.02
Rot. Bonds1

About 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine

1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 142548117) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine
PubChem CID142548117
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine
SMILESCC1(N)C=CC(OC(F)(F)F)=CC1N
InChIInChI=1S/C8H11F3N2O/c1-7(13)3-2-5(4-6(7)12)14-8(9,10)11/h2-4,6H,12-13H2,1H3
InChIKeyWQOIVDSWCFRQKT-UHFFFAOYSA-N
XLogP1.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine (CID 142548117) is 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine is CC1(N)C=CC(OC(F)(F)F)=CC1N.
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is WQOIVDSWCFRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-7(13)3-2-5(4-6(7)12)14-8(9,10)11/h2-4,6H,12-13H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine?
1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 208.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 142548117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).