N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine

C12H14F3N — CID 123848729

IUPACN-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine
SMILESC=C/N=C(\C=C)C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N/c1-3-11(16-4-2)9-5-7-10(8-6-9)12(13,14)15/h3-5,10H,1-2,6-8H2/b16-11+
InChIKeyXHGJQPYUDARJRM-LFIBNONCSA-N
MW229.24 g/mol
LogP4.05
Rot. Bonds3

About N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine

N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine (PubChem CID 123848729) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine
PubChem CID123848729
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine
SMILESC=C/N=C(\C=C)C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N/c1-3-11(16-4-2)9-5-7-10(8-6-9)12(13,14)15/h3-5,10H,1-2,6-8H2/b16-11+
InChIKeyXHGJQPYUDARJRM-LFIBNONCSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine
CID 71069156
5-[1-[2,3-Dimethyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]ethyl]-2-methyl-3,4-dihydropyridine
CID 123280534
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
4-methyl-7-[4-(trifluoromethyl)cyclohexen-1-yl]-4H-azepine
CID 123985591
6-[5-(2,2,2-Trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 142832138
6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole
CID 151583537
6-(trifluoromethyl)-6,7-dihydro-5H-indole
CID 153975006
(E)-N-ethenyl-1,1,1-trifluoro-2,5,6-trimethyloct-2-en-4-imine
CID 166907528
2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole
CID 59005820
3-[4-(Trifluoromethyl)cyclohex-3-en-1-yl]-3,4-dihydropyridine
CID 162618689
(3E)-4-ethyl-3-ethylidene-2-methyl-4H-pyridine
CID 141830036
1-cyclohexyl-N-ethenyl-4-methylpent-3-en-2-imine
CID 145149810

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine?
The IUPAC name of N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine (CID 123848729) is N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine?
The canonical SMILES for N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine is C=C/N=C(\C=C)C1=CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine?
The InChIKey is XHGJQPYUDARJRM-LFIBNONCSA-N. The full InChI is InChI=1S/C12H14F3N/c1-3-11(16-4-2)9-5-7-10(8-6-9)12(13,14)15/h3-5,10H,1-2,6-8H2/b16-11+.
What are the key properties of N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine?
N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine has a molecular weight of 229.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 123848729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).