1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene

C13H17FO — CID 5382492

IUPAC1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C(/F)OC(C)(C)C)cc1
InChIInChI=1S/C13H17FO/c1-10-5-7-11(8-6-10)9-12(14)15-13(2,3)4/h5-9H,1-4H3/b12-9-
InChIKeyYZBPVSFYYUFNCM-XFXZXTDPSA-N
MW208.28 g/mol
LogP4.08
Rot. Bonds2

About 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene

1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene (PubChem CID 5382492) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene
PubChem CID5382492
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene
SMILESCc1ccc(/C=C(/F)OC(C)(C)C)cc1
InChIInChI=1S/C13H17FO/c1-10-5-7-11(8-6-10)9-12(14)15-13(2,3)4/h5-9H,1-4H3/b12-9-
InChIKeyYZBPVSFYYUFNCM-XFXZXTDPSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639
[(E)-1-fluoro-2-(4-methylphenyl)ethenyl] benzoate
CID 135004942
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
CID 54302276
1-[(Z)-2,4-dibromobut-1-enyl]-4-methylbenzene
CID 11012144
2-hydroxypropan-2-yl (E)-3-(4-methylphenyl)prop-2-enoate
CID 141366675
(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
CID 102132917
2-(4-methylphenyl)-1-phosphanylethenol
CID 142187482
tert-butyl 2-[[4-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxobut-1-enyl]phenyl]phenyl]methylidene]-3-oxobutanoate
CID 72568896
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
tert-butyl (E)-3-[4-(4-methylphenyl)sulfinylphenyl]prop-2-enoate
CID 102146153

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene?
The IUPAC name of 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene (CID 5382492) is 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene.
What is the SMILES notation for 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene?
The canonical SMILES for 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene is Cc1ccc(/C=C(/F)OC(C)(C)C)cc1.
What is the InChIKey of 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene?
The InChIKey is YZBPVSFYYUFNCM-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H17FO/c1-10-5-7-11(8-6-10)9-12(14)15-13(2,3)4/h5-9H,1-4H3/b12-9-.
What are the key properties of 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene?
1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene has a molecular weight of 208.28 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoro-2-[(2-methylpropan-2-yl)oxy]ethenyl]-4-methylbenzene is sourced from PubChem (CID 5382492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).