(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane

C11H15FO — CID 143774621

IUPAC(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane
SMILESC=C1OCCC(C)/C1=C/C(F)=C\C
InChIInChI=1S/C11H15FO/c1-4-10(12)7-11-8(2)5-6-13-9(11)3/h4,7-8H,3,5-6H2,1-2H3/b10-4+,11-7-
InChIKeyRWQFVPGPDYVLFW-FJTWHMNQSA-N
MW182.24 g/mol
LogP3.36
Rot. Bonds1

About (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane

(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane (PubChem CID 143774621) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane.

Molecular Properties

Compound Name(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane
PubChem CID143774621
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane
SMILESC=C1OCCC(C)/C1=C/C(F)=C\C
InChIInChI=1S/C11H15FO/c1-4-10(12)7-11-8(2)5-6-13-9(11)3/h4,7-8H,3,5-6H2,1-2H3/b10-4+,11-7-
InChIKeyRWQFVPGPDYVLFW-FJTWHMNQSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane?
The IUPAC name of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane (CID 143774621) is (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane.
What is the SMILES notation for (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane?
The canonical SMILES for (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane is C=C1OCCC(C)/C1=C/C(F)=C\C.
What is the InChIKey of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane?
The InChIKey is RWQFVPGPDYVLFW-FJTWHMNQSA-N. The full InChI is InChI=1S/C11H15FO/c1-4-10(12)7-11-8(2)5-6-13-9(11)3/h4,7-8H,3,5-6H2,1-2H3/b10-4+,11-7-.
What are the key properties of (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane?
(3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane has a molecular weight of 182.24 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-2-fluorobut-2-enylidene]-4-methyl-2-methylideneoxane is sourced from PubChem (CID 143774621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).