1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene

C13H13F3O2 — CID 102437970

IUPAC1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
SMILESC=C(COC(=C)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C13H13F3O2/c1-9(8-18-10(2)13(14,15)16)11-4-6-12(17-3)7-5-11/h4-7H,1-2,8H2,3H3
InChIKeyJALDPRVRAXGWFG-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.80
Rot. Bonds5

About 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene

1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene (PubChem CID 102437970) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
PubChem CID102437970
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
SMILESC=C(COC(=C)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C13H13F3O2/c1-9(8-18-10(2)13(14,15)16)11-4-6-12(17-3)7-5-11/h4-7H,1-2,8H2,3H3
InChIKeyJALDPRVRAXGWFG-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
methyl (2R)-2-hydroxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)pent-4-enoate
CID 102173229
1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
CID 101367118
2-[2-(4-methoxyphenyl)prop-2-enoxy]oxane
CID 11265153
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
1-methoxy-4-[(Z)-1,1,1-trifluoro-3-(4-methoxyphenyl)but-2-en-2-yl]benzene
CID 10958235
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
1-[2-(4-methoxyphenyl)prop-2-enyl]piperidine
CID 53360981

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene (CID 102437970) is 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene is C=C(COC(=C)C(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene?
The InChIKey is JALDPRVRAXGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c1-9(8-18-10(2)13(14,15)16)11-4-6-12(17-3)7-5-11/h4-7H,1-2,8H2,3H3.
What are the key properties of 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene?
1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene has a molecular weight of 258.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene is sourced from PubChem (CID 102437970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).