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

C13H12F3N — CID 145087257

IUPACN-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/N=C/C(=C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C13H12F3N/c1-9-4-6-12(7-5-9)11(3)17-8-10(2)13(14,15)16/h4-8H,2-3H2,1H3/b17-8+
InChIKeyBPWISFZRDKVRDN-CAOOACKPSA-N
MW239.24 g/mol
LogP4.16
Rot. Bonds3

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

N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine (PubChem CID 145087257) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine
PubChem CID145087257
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC NameN-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/N=C/C(=C)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C13H12F3N/c1-9-4-6-12(7-5-9)11(3)17-8-10(2)13(14,15)16/h4-8H,2-3H2,1H3/b17-8+
InChIKeyBPWISFZRDKVRDN-CAOOACKPSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.16
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

(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
1-methyl-4-(4,4,4-trifluorobut-1-en-2-yl)benzene
CID 122397383
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
(Z)-2-[2,3-bis(ethenyl)naphthalen-1-yl]-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144968870
(3E)-1,1,1-trifluoro-3-hydroxyimino-3-(4-methylphenyl)propan-2-one
CID 10681013
1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
CID 123988265
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
(Z)-2-(methylideneamino)-2-(4-methylphenyl)ethenethiol
CID 143018409
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950
1-methyl-4-[3-(trifluoromethyl)but-3-en-1-ynyl]benzene
CID 141357258

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine?
The IUPAC name of N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine (CID 145087257) is N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine?
The canonical SMILES for N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine is C=C(/N=C/C(=C)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine?
The InChIKey is BPWISFZRDKVRDN-CAOOACKPSA-N. The full InChI is InChI=1S/C13H12F3N/c1-9-4-6-12(7-5-9)11(3)17-8-10(2)13(14,15)16/h4-8H,2-3H2,1H3/b17-8+.
What are the key properties of N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine?
N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine has a molecular weight of 239.24 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)prop-2-en-1-imine is sourced from PubChem (CID 145087257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).