(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole

C8H8FNO — CID 156867733

IUPAC(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole
SMILESC=C(F)/C(C)=c1/oncc1=C
InChIInChI=1S/C8H8FNO/c1-5-4-10-11-8(5)6(2)7(3)9/h4H,1,3H2,2H3/b8-6+
InChIKeyXXQDJDKPTGOGPO-SOFGYWHQSA-N
MW153.16 g/mol
LogP0.74
Rot. Bonds1

About (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole

(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole (PubChem CID 156867733) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole.

Molecular Properties

Compound Name(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole
PubChem CID156867733
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole
SMILESC=C(F)/C(C)=c1/oncc1=C
InChIInChI=1S/C8H8FNO/c1-5-4-10-11-8(5)6(2)7(3)9/h4H,1,3H2,2H3/b8-6+
InChIKeyXXQDJDKPTGOGPO-SOFGYWHQSA-N
XLogP0.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4Z)-4-(2-fluoropent-1-en-3-ylidene)-5-methylidene-1,2-oxazole
CID 156867718
(z)-4-Methylene-5-propylidene-2-oxazolidine
CID 129708989
(5E)-5-(2-fluoroprop-2-enylidene)-4-methylidene-1,2-oxazole
CID 156867694
4,5-Di(propan-2-ylidene)-1,2-oxazole
CID 57564396
(4Z,5E)-5-ethylidene-4-prop-2-enylidene-1,2-oxazole
CID 138518868
(4Z,5E)-4,5-bis(prop-2-enylidene)-1,2-oxazole
CID 142219564
5H-cyclohepta[d][1,2]oxazole;ethane
CID 142873810
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1,2-oxazole
CID 143124033
ethane;methane;(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole
CID 143256330
(4Z)-5-methylidene-4-(2-methylprop-2-enylidene)-1,2-oxazole
CID 143256331
(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane
CID 143256468
ethane;(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole
CID 143383188

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole?
The IUPAC name of (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole (CID 156867733) is (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole.
What is the SMILES notation for (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole?
The canonical SMILES for (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole is C=C(F)/C(C)=c1/oncc1=C.
What is the InChIKey of (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole?
The InChIKey is XXQDJDKPTGOGPO-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H8FNO/c1-5-4-10-11-8(5)6(2)7(3)9/h4H,1,3H2,2H3/b8-6+.
What are the key properties of (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole?
(5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole has a molecular weight of 153.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3-fluorobut-3-en-2-ylidene)-4-methylidene-1,2-oxazole is sourced from PubChem (CID 156867733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).