[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine

C8H8F3N — CID 139372794

IUPAC[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
SMILES[H]/N=C/C1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-3,5-6,12H,4H2/b12-5+
InChIKeyMUCWEIUDKPMTTO-LFYBBSHMSA-N
MW175.15 g/mol
LogP2.70
Rot. Bonds1

About [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine

[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine (PubChem CID 139372794) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine.

Molecular Properties

Compound Name[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
PubChem CID139372794
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
SMILES[H]/N=C/C1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-3,5-6,12H,4H2/b12-5+
InChIKeyMUCWEIUDKPMTTO-LFYBBSHMSA-N
XLogP2.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
The IUPAC name of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine (CID 139372794) is [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine.
What is the SMILES notation for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
The canonical SMILES for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine is [H]/N=C/C1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
The InChIKey is MUCWEIUDKPMTTO-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-3,5-6,12H,4H2/b12-5+.
What are the key properties of [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine has a molecular weight of 175.15 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine is sourced from PubChem (CID 139372794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).