1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine

C14H14F3N — CID 71070191

IUPAC1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
SMILESFC(F)(F)C1=CC(/N=C/C2C=CC=CC2)CC=C1
InChIInChI=1S/C14H14F3N/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-5,7,9-11,13H,6,8H2/b18-10+
InChIKeyZSBGCFYDQZCLMQ-VCHYOVAHSA-N
MW253.27 g/mol
LogP4.01
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine

1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine (PubChem CID 71070191) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
PubChem CID71070191
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine
SMILESFC(F)(F)C1=CC(/N=C/C2C=CC=CC2)CC=C1
InChIInChI=1S/C14H14F3N/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-5,7,9-11,13H,6,8H2/b18-10+
InChIKeyZSBGCFYDQZCLMQ-VCHYOVAHSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.01
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 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine (CID 71070191) is 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine is FC(F)(F)C1=CC(/N=C/C2C=CC=CC2)CC=C1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
The InChIKey is ZSBGCFYDQZCLMQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H14F3N/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-5,7,9-11,13H,6,8H2/b18-10+.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine?
1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine has a molecular weight of 253.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanimine is sourced from PubChem (CID 71070191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).