(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane

C11H15FO — CID 134289672

IUPAC(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane
SMILESC/C=C/C(F)=C1/OCCC/C1=C\C
InChIInChI=1S/C11H15FO/c1-3-6-10(12)11-9(4-2)7-5-8-13-11/h3-4,6H,5,7-8H2,1-2H3/b6-3+,9-4+,11-10-
InChIKeyGSPNCGXUUDLKPM-VNIPODDBSA-N
MW182.24 g/mol
LogP3.50
Rot. Bonds1

About (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane

(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane (PubChem CID 134289672) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane.

Molecular Properties

Compound Name(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane
PubChem CID134289672
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane
SMILESC/C=C/C(F)=C1/OCCC/C1=C\C
InChIInChI=1S/C11H15FO/c1-3-6-10(12)11-9(4-2)7-5-8-13-11/h3-4,6H,5,7-8H2,1-2H3/b6-3+,9-4+,11-10-
InChIKeyGSPNCGXUUDLKPM-VNIPODDBSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454155
2-(3-Fluorocyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 57454156
5-[(E)-2-fluoroethenyl]-6-[(Z)-1-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070342
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
2-(2-Fluoroethoxy)-5-methylcyclohexa-1,3-diene
CID 88574758
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439
5-Ethoxy-1-(fluoromethyl)cyclohexa-1,3-diene
CID 89153602
4-[(3Z,5Z)-3-fluoroocta-1,3,5-trien-4-yl]oxyoxane
CID 89180900
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane?
The IUPAC name of (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane (CID 134289672) is (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane.
What is the SMILES notation for (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane?
The canonical SMILES for (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane is C/C=C/C(F)=C1/OCCC/C1=C\C.
What is the InChIKey of (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane?
The InChIKey is GSPNCGXUUDLKPM-VNIPODDBSA-N. The full InChI is InChI=1S/C11H15FO/c1-3-6-10(12)11-9(4-2)7-5-8-13-11/h3-4,6H,5,7-8H2,1-2H3/b6-3+,9-4+,11-10-.
What are the key properties of (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane?
(2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane has a molecular weight of 182.24 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-3-ethylidene-2-[(E)-1-fluorobut-2-enylidene]oxane is sourced from PubChem (CID 134289672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).