N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine

C12H14F3N — CID 135190391

IUPACN-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine
SMILESC/C(=N\C1CC1)C1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C12H14F3N/c1-8(16-11-5-6-11)9-3-2-4-10(7-9)12(13,14)15/h3,7,11H,2,4-6H2,1H3/b16-8+
InChIKeyLJXWQPZMCZDPGA-LZYBPNLTSA-N
MW229.24 g/mol
LogP3.82
Rot. Bonds2

About N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine

N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine (PubChem CID 135190391) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine
PubChem CID135190391
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine
SMILESC/C(=N\C1CC1)C1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C12H14F3N/c1-8(16-11-5-6-11)9-3-2-4-10(7-9)12(13,14)15/h3,7,11H,2,4-6H2,1H3/b16-8+
InChIKeyLJXWQPZMCZDPGA-LZYBPNLTSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.82
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-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine?
The IUPAC name of N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine (CID 135190391) is N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine.
What is the SMILES notation for N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine?
The canonical SMILES for N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine is C/C(=N\C1CC1)C1=CCCC(C(F)(F)F)=C1.
What is the InChIKey of N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine?
The InChIKey is LJXWQPZMCZDPGA-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8(16-11-5-6-11)9-3-2-4-10(7-9)12(13,14)15/h3,7,11H,2,4-6H2,1H3/b16-8+.
What are the key properties of N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine?
N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine has a molecular weight of 229.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine is sourced from PubChem (CID 135190391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).