(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan

C12H11F3O — CID 143149849

IUPAC(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan
SMILESC=C/C=c1/cc(C(F)(F)F)o/c1=C/C=C\C
InChIInChI=1S/C12H11F3O/c1-3-5-7-10-9(6-4-2)8-11(16-10)12(13,14)15/h3-8H,2H2,1H3/b5-3-,9-6-,10-7+
InChIKeyLBABAWPFFDNZDZ-PSHROIJCSA-N
MW228.21 g/mol
LogP2.62
Rot. Bonds2

About (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan

(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan (PubChem CID 143149849) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan.

Molecular Properties

Compound Name(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan
PubChem CID143149849
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan
SMILESC=C/C=c1/cc(C(F)(F)F)o/c1=C/C=C\C
InChIInChI=1S/C12H11F3O/c1-3-5-7-10-9(6-4-2)8-11(16-10)12(13,14)15/h3-8H,2H2,1H3/b5-3-,9-6-,10-7+
InChIKeyLBABAWPFFDNZDZ-PSHROIJCSA-N
XLogP2.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335
2-[Difluoro-(3,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)methoxy]-5,7,7-trimethylcyclohepta-1,3,5-triene
CID 71110246
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
(3E)-4-fluoro-2,6-dimethyl-5-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 88053607
Lithium 1-ethoxy-3-(trifluoromethyl)benzene-2-ide
CID 88361979
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
(3Z,5Z)-5-methyl-2-(trifluoromethoxy)hepta-1,3,5-triene
CID 89220895
(2Z,4E)-3-methyl-4-(trifluoromethoxy)hexa-2,4-diene
CID 89672815
(5E)-5-[(Z)-1-methoxybut-2-enylidene]-6-methylidene-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89785782
3-(2,2,2-Trifluoroethoxy)hepta-2,4-diene
CID 91263829
1-Ethyl-5-(trifluoromethoxy)cyclohepta-1,2,4,6-tetraene
CID 91518121

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan?
The IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan (CID 143149849) is (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan.
What is the SMILES notation for (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan?
The canonical SMILES for (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan is C=C/C=c1/cc(C(F)(F)F)o/c1=C/C=C\C.
What is the InChIKey of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan?
The InChIKey is LBABAWPFFDNZDZ-PSHROIJCSA-N. The full InChI is InChI=1S/C12H11F3O/c1-3-5-7-10-9(6-4-2)8-11(16-10)12(13,14)15/h3-8H,2H2,1H3/b5-3-,9-6-,10-7+.
What are the key properties of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan?
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan has a molecular weight of 228.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidene-5-(trifluoromethyl)furan is sourced from PubChem (CID 143149849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).