N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine

C17H14F3N — CID 135068443

IUPACN-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESC=c1cccc/c1=C(C)/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N/c1-12-5-3-4-6-16(12)13(2)21-11-14-7-9-15(10-8-14)17(18,19)20/h3-11H,1H2,2H3/b16-13-,21-11+
InChIKeyMUEIRLIJJMMWBI-SNQLLMHGSA-N
MW289.30 g/mol
LogP3.36
Rot. Bonds2

About N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine

N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 135068443) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID135068443
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC NameN-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESC=c1cccc/c1=C(C)/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N/c1-12-5-3-4-6-16(12)13(2)21-11-14-7-9-15(10-8-14)17(18,19)20/h3-11H,1H2,2H3/b16-13-,21-11+
InChIKeyMUEIRLIJJMMWBI-SNQLLMHGSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.36
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 N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 135068443) is N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine is C=c1cccc/c1=C(C)/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is MUEIRLIJJMMWBI-SNQLLMHGSA-N. The full InChI is InChI=1S/C17H14F3N/c1-12-5-3-4-6-16(12)13(2)21-11-14-7-9-15(10-8-14)17(18,19)20/h3-11H,1H2,2H3/b16-13-,21-11+.
What are the key properties of N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 289.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethyl]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 135068443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).