1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene

C12H13F3O3 — CID 91084505

IUPAC1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCF)c(OCF)c1OCF
InChIInChI=1S/C12H13F3O3/c1-2-3-9-4-5-10(16-6-13)12(18-8-15)11(9)17-7-14/h2,4-5H,1,3,6-8H2
InChIKeyJSYHBBBICGSDAW-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.33
Rot. Bonds8

About 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene

1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene (PubChem CID 91084505) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene
PubChem CID91084505
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCF)c(OCF)c1OCF
InChIInChI=1S/C12H13F3O3/c1-2-3-9-4-5-10(16-6-13)12(18-8-15)11(9)17-7-14/h2,4-5H,1,3,6-8H2
InChIKeyJSYHBBBICGSDAW-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
1-ethoxy-2,3-bis(prop-2-enoxy)-4-propylbenzene
CID 141200812
2-prop-2-enoxy-1,5-bis(prop-2-enyl)naphthalene
CID 174804005
[3-[2,3-bis(hydroxymethyl)-4-prop-2-enylphenoxy]-2-(hydroxymethyl)-6-prop-2-enylphenyl]methanol
CID 173437645
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene
CID 173362824
2-(2,3-dimethyl-6-prop-2-enylphenoxy)acetic acid
CID 54849806
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene?
The IUPAC name of 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene (CID 91084505) is 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene.
What is the SMILES notation for 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene?
The canonical SMILES for 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene is C=CCc1ccc(OCF)c(OCF)c1OCF.
What is the InChIKey of 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene?
The InChIKey is JSYHBBBICGSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-2-3-9-4-5-10(16-6-13)12(18-8-15)11(9)17-7-14/h2,4-5H,1,3,6-8H2.
What are the key properties of 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene?
1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene has a molecular weight of 262.23 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(fluoromethoxy)-4-prop-2-enylbenzene is sourced from PubChem (CID 91084505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).