(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine

C11H12F3N — CID 162585419

IUPAC(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=CC(C(F)(F)F)=C/C1=N\C
InChIInChI=1S/C11H12F3N/c1-3-4-8-5-6-9(11(12,13)14)7-10(8)15-2/h4-7H,3H2,1-2H3/b8-4-,15-10+
InChIKeyCPWHUZCWHVOKMI-JBCREXSLSA-N
MW215.22 g/mol
LogP3.45
Rot. Bonds1

About (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine

(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 162585419) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
PubChem CID162585419
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=CC(C(F)(F)F)=C/C1=N\C
InChIInChI=1S/C11H12F3N/c1-3-4-8-5-6-9(11(12,13)14)7-10(8)15-2/h4-7H,3H2,1-2H3/b8-4-,15-10+
InChIKeyCPWHUZCWHVOKMI-JBCREXSLSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine (CID 162585419) is (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine is CC/C=C1/C=CC(C(F)(F)F)=C/C1=N\C.
What is the InChIKey of (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is CPWHUZCWHVOKMI-JBCREXSLSA-N. The full InChI is InChI=1S/C11H12F3N/c1-3-4-8-5-6-9(11(12,13)14)7-10(8)15-2/h4-7H,3H2,1-2H3/b8-4-,15-10+.
What are the key properties of (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
(6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 215.22 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-methyl-6-propylidene-3-(trifluoromethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 162585419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).