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

C19H22F4O3 — CID 153282527

IUPAC1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(OC/C=C/C2CC2)ccc(OCCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C19H22F4O3/c20-17-15(24-11-2-5-14-6-7-14)8-9-16(18(17)26-19(21,22)23)25-12-10-13-3-1-4-13/h2,5,8-9,13-14H,1,3-4,6-7,10-12H2/b5-2+
InChIKeyZJNPHAINPWWRKN-GORDUTHDSA-N
MW374.37 g/mol
LogP5.64
Rot. Bonds9

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

1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 153282527) has the molecular formula C19H22F4O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
PubChem CID153282527
Molecular FormulaC19H22F4O3
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Name1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
SMILESFc1c(OC/C=C/C2CC2)ccc(OCCC2CCC2)c1OC(F)(F)F
InChIInChI=1S/C19H22F4O3/c20-17-15(24-11-2-5-14-6-7-14)8-9-16(18(17)26-19(21,22)23)25-12-10-13-3-1-4-13/h2,5,8-9,13-14H,1,3-4,6-7,10-12H2/b5-2+
InChIKeyZJNPHAINPWWRKN-GORDUTHDSA-N
XLogP5.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.64
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-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-cyclopentyloxy-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148688040
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-[(E)-3-cyclopentylprop-2-enoxy]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 153282281
1-(3-cyclobutylpropoxy)-4-[(E)-3-cyclopentylprop-2-enoxy]-2,3-difluorobenzene
CID 153282625
1-(2-cyclobutylethoxy)-4-(cyclopropylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282633
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-[(E)-3-cyclobutylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-methylbenzene
CID 161461790
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
2,3-difluoro-1-[3-(4-pentylcyclohexyl)prop-2-enoxy]-4-propoxybenzene
CID 57031515
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2,3-difluorobenzene
CID 153282371

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene (CID 153282527) is 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene is Fc1c(OC/C=C/C2CC2)ccc(OCCC2CCC2)c1OC(F)(F)F.
What is the InChIKey of 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene?
The InChIKey is ZJNPHAINPWWRKN-GORDUTHDSA-N. The full InChI is InChI=1S/C19H22F4O3/c20-17-15(24-11-2-5-14-6-7-14)8-9-16(18(17)26-19(21,22)23)25-12-10-13-3-1-4-13/h2,5,8-9,13-14H,1,3-4,6-7,10-12H2/b5-2+.
What are the key properties of 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene?
1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 374.37 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethoxy)-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 153282527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).