(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine

C8H10F3N — CID 142285293

IUPAC(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-7(8(9,10)11)5-12-6(2)3/h4-5H,2H2,1,3H3/b7-4+,12-5+
InChIKeyOJMHTCRFYIJURV-WICBUYNWSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine

(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine (PubChem CID 142285293) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
PubChem CID142285293
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
SMILESC=C(C)/N=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-7(8(9,10)11)5-12-6(2)3/h4-5H,2H2,1,3H3/b7-4+,12-5+
InChIKeyOJMHTCRFYIJURV-WICBUYNWSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.10
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-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine
CID 144896047
3-methyl-2-methylidene-N-prop-1-en-2-ylbut-3-en-1-imine
CID 143965709
(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(E)-2-(1,1-difluoroethyl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine
CID 171492754
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
5,5-difluoro-3-methyl-N-[(Z)-1-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]prop-1-enyl]hexan-1-amine
CID 174004294
(Z)-6-propyl-7-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]non-7-en-4-one
CID 176969437
(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949

Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
The IUPAC name of (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine (CID 142285293) is (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine is C=C(C)/N=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
The InChIKey is OJMHTCRFYIJURV-WICBUYNWSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-7(8(9,10)11)5-12-6(2)3/h4-5H,2H2,1,3H3/b7-4+,12-5+.
What are the key properties of (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine?
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine is sourced from PubChem (CID 142285293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).