1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene

C21H24F4O3 — CID 148723204

IUPAC1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
SMILESFc1c(OC/C=C/C2CCCC2)ccc(OC/C=C/C2CC2)c1OC(F)(F)F
InChIInChI=1S/C21H24F4O3/c22-19-17(26-13-3-7-15-5-1-2-6-15)11-12-18(20(19)28-21(23,24)25)27-14-4-8-16-9-10-16/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10,13-14H2/b7-3+,8-4+
InChIKeyNZMOEXSJIRLKRL-FCXRPNKRSA-N
MW400.41 g/mol
LogP6.19
Rot. Bonds9

About 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene

1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene (PubChem CID 148723204) has the molecular formula C21H24F4O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
PubChem CID148723204
Molecular FormulaC21H24F4O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
SMILESFc1c(OC/C=C/C2CCCC2)ccc(OC/C=C/C2CC2)c1OC(F)(F)F
InChIInChI=1S/C21H24F4O3/c22-19-17(26-13-3-7-15-5-1-2-6-15)11-12-18(20(19)28-21(23,24)25)27-14-4-8-16-9-10-16/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10,13-14H2/b7-3+,8-4+
InChIKeyNZMOEXSJIRLKRL-FCXRPNKRSA-N
XLogP6.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 56.19
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

1-cyclopentyloxy-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148688040
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282527
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 153282281
1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
CID 161461790
1-(3-cyclobutylpropoxy)-4-[(E)-3-cyclopentylprop-2-enoxy]-2,3-difluorobenzene
CID 153282625
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
CID 158095086
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene (CID 148723204) is 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene is Fc1c(OC/C=C/C2CCCC2)ccc(OC/C=C/C2CC2)c1OC(F)(F)F.
What is the InChIKey of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene?
The InChIKey is NZMOEXSJIRLKRL-FCXRPNKRSA-N. The full InChI is InChI=1S/C21H24F4O3/c22-19-17(26-13-3-7-15-5-1-2-6-15)11-12-18(20(19)28-21(23,24)25)27-14-4-8-16-9-10-16/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10,13-14H2/b7-3+,8-4+.
What are the key properties of 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene?
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene has a molecular weight of 400.41 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 148723204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).