ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan

C12H15F3O — CID 143149835

IUPACethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan
SMILESC=C/C=c1/cc(C(F)(F)F)o/c1=C/C.CC
InChIInChI=1S/C10H9F3O.C2H6/c1-3-5-7-6-9(10(11,12)13)14-8(7)4-2;1-2/h3-6H,1H2,2H3;1-2H3/b7-5-,8-4+;
InChIKeyHBEFLNYHFLUCNP-HTQNWGDESA-N
MW232.24 g/mol
LogP3.09
Rot. Bonds1

About ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan

ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan (PubChem CID 143149835) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan.

Molecular Properties

Compound Nameethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan
PubChem CID143149835
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Nameethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan
SMILESC=C/C=c1/cc(C(F)(F)F)o/c1=C/C.CC
InChIInChI=1S/C10H9F3O.C2H6/c1-3-5-7-6-9(10(11,12)13)14-8(7)4-2;1-2/h3-6H,1H2,2H3;1-2H3/b7-5-,8-4+;
InChIKeyHBEFLNYHFLUCNP-HTQNWGDESA-N
XLogP3.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 53.09
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 ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan?
The IUPAC name of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan (CID 143149835) is ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan.
What is the SMILES notation for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan?
The canonical SMILES for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan is C=C/C=c1/cc(C(F)(F)F)o/c1=C/C.CC.
What is the InChIKey of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan?
The InChIKey is HBEFLNYHFLUCNP-HTQNWGDESA-N. The full InChI is InChI=1S/C10H9F3O.C2H6/c1-3-5-7-6-9(10(11,12)13)14-8(7)4-2;1-2/h3-6H,1H2,2H3;1-2H3/b7-5-,8-4+;.
What are the key properties of ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan?
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan has a molecular weight of 232.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-5-(trifluoromethyl)furan is sourced from PubChem (CID 143149835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).