1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine

C9H10F3N — CID 143326041

IUPAC1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine
SMILESC/N=C(\C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3/b13-8+
InChIKeyFINYAYMPOJJRFL-MDWZMJQESA-N
MW189.18 g/mol
LogP2.90
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine

1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine (PubChem CID 143326041) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine
PubChem CID143326041
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine
SMILESC/N=C(\C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3/b13-8+
InChIKeyFINYAYMPOJJRFL-MDWZMJQESA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.90
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-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine (CID 143326041) is 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine is C/N=C(\C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine?
The InChIKey is FINYAYMPOJJRFL-MDWZMJQESA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3/b13-8+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine?
1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine has a molecular weight of 189.18 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoro-N-methylethanimine is sourced from PubChem (CID 143326041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).