1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene

C20H26F2O — CID 153282642

IUPAC1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene
SMILESFc1c(CC/C=C/C2CCCC2)ccc(OCC2CCC2)c1F
InChIInChI=1S/C20H26F2O/c21-19-17(11-4-3-8-15-6-1-2-7-15)12-13-18(20(19)22)23-14-16-9-5-10-16/h3,8,12-13,15-16H,1-2,4-7,9-11,14H2/b8-3+
InChIKeyISPBYZFOOGDVAT-FPYGCLRLSA-N
MW320.42 g/mol
LogP5.82
Rot. Bonds7

About 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene

1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene (PubChem CID 153282642) has the molecular formula C20H26F2O and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene
PubChem CID153282642
Molecular FormulaC20H26F2O
Molecular Weight320.42 g/mol
Exact Mass320.20
IUPAC Name1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene
SMILESFc1c(CC/C=C/C2CCCC2)ccc(OCC2CCC2)c1F
InChIInChI=1S/C20H26F2O/c21-19-17(11-4-3-8-15-6-1-2-7-15)12-13-18(20(19)22)23-14-16-9-5-10-16/h3,8,12-13,15-16H,1-2,4-7,9-11,14H2/b8-3+
InChIKeyISPBYZFOOGDVAT-FPYGCLRLSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutylmethoxy)-4-[(E)-4-cyclopropylbut-3-enyl]-2,3-difluorobenzene
CID 153282251
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
CID 147649188
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-2-cyclopentylethenyl]-2,3-difluorobenzene;1-cyclobutyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-2,3-difluorobenzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene;1-[(E)-3-cyclopentylprop-2-enyl]-4-(2-cyclopropylethoxy)-2,3-difluorobenzene
CID 161240054
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
CID 118886029
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-[(E)-4-[4-(2,3-difluorophenyl)cyclohexyl]but-3-enyl]-4-ethoxy-2,3-difluorobenzene
CID 163654172
1-but-3-enyl-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)but-1-enyl]cyclohexyl]-2,3-difluorobenzene
CID 77417200
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene?
The IUPAC name of 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene (CID 153282642) is 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene?
The canonical SMILES for 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene is Fc1c(CC/C=C/C2CCCC2)ccc(OCC2CCC2)c1F.
What is the InChIKey of 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene?
The InChIKey is ISPBYZFOOGDVAT-FPYGCLRLSA-N. The full InChI is InChI=1S/C20H26F2O/c21-19-17(11-4-3-8-15-6-1-2-7-15)12-13-18(20(19)22)23-14-16-9-5-10-16/h3,8,12-13,15-16H,1-2,4-7,9-11,14H2/b8-3+.
What are the key properties of 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene?
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene has a molecular weight of 320.42 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene is sourced from PubChem (CID 153282642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).