(E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine

C16H20F3N — CID 145238174

IUPAC(E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine
SMILESC=C/C=C(\C=C(/C)CC)C(=CC)/C=N/C(=C)C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-6-9-15(10-12(4)7-2)14(8-3)11-20-13(5)16(17,18)19/h6,8-11H,1,5,7H2,2-4H3/b12-10+,14-8+,15-9+,20-11+
InChIKeyIWDRNBWVSBWINB-FQRCBXADSA-N
MW283.34 g/mol
LogP5.55
Rot. Bonds6

About (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine

(E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine (PubChem CID 145238174) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine.

Molecular Properties

Compound Name(E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine
PubChem CID145238174
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name(E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine
SMILESC=C/C=C(\C=C(/C)CC)C(=CC)/C=N/C(=C)C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-6-9-15(10-12(4)7-2)14(8-3)11-20-13(5)16(17,18)19/h6,8-11H,1,5,7H2,2-4H3/b12-10+,14-8+,15-9+,20-11+
InChIKeyIWDRNBWVSBWINB-FQRCBXADSA-N
XLogP5.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.34
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91428366
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
(E)-N-[3-(ethenyliminomethyl)buta-1,3-dien-2-yl]-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123431326
5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
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(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866

Frequently Asked Questions

What is the IUPAC name of (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine?
The IUPAC name of (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine (CID 145238174) is (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine.
What is the SMILES notation for (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine?
The canonical SMILES for (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine is C=C/C=C(\C=C(/C)CC)C(=CC)/C=N/C(=C)C(F)(F)F.
What is the InChIKey of (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine?
The InChIKey is IWDRNBWVSBWINB-FQRCBXADSA-N. The full InChI is InChI=1S/C16H20F3N/c1-6-9-15(10-12(4)7-2)14(8-3)11-20-13(5)16(17,18)19/h6,8-11H,1,5,7H2,2-4H3/b12-10+,14-8+,15-9+,20-11+.
What are the key properties of (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine?
(E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine has a molecular weight of 283.34 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-4-en-1-imine is sourced from PubChem (CID 145238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).