[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene

C13H17FO — CID 166438480

IUPAC[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene
SMILESCCC(OC)/C(F)=C(\C)c1ccccc1
InChIInChI=1S/C13H17FO/c1-4-12(15-3)13(14)10(2)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3/b13-10-
InChIKeyFVOQUVRUTDLYDX-RAXLEYEMSA-N
MW208.28 g/mol
LogP3.81
Rot. Bonds4

About [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene

[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene (PubChem CID 166438480) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene
PubChem CID166438480
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene
SMILESCCC(OC)/C(F)=C(\C)c1ccccc1
InChIInChI=1S/C13H17FO/c1-4-12(15-3)13(14)10(2)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3/b13-10-
InChIKeyFVOQUVRUTDLYDX-RAXLEYEMSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxyhexa-1,2-dien-3-ylbenzene
CID 174694094
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
(E)-2-fluoro-3-phenylbut-2-en-1-ol
CID 102075311
(Z)-2-fluoro-3-phenylbut-2-en-1-ol
CID 13492187
ethyl (E)-2-fluoro-3-phenylbut-2-enoate
CID 12705934
3-hydroperoxypent-1-en-2-ylbenzene
CID 155931439
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
CID 157458679
5-methoxy-1-phenylheptan-4-one
CID 116707095

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene?
The IUPAC name of [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene (CID 166438480) is [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene.
What is the SMILES notation for [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene?
The canonical SMILES for [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene is CCC(OC)/C(F)=C(\C)c1ccccc1.
What is the InChIKey of [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene?
The InChIKey is FVOQUVRUTDLYDX-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H17FO/c1-4-12(15-3)13(14)10(2)11-8-6-5-7-9-11/h5-9,12H,4H2,1-3H3/b13-10-.
What are the key properties of [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene?
[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene has a molecular weight of 208.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene is sourced from PubChem (CID 166438480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).