1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene

C19H24F2O — CID 147649188

IUPAC1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
SMILESFc1c(CC/C=C/C2CCC2)ccc(OC2CCCC2)c1F
InChIInChI=1S/C19H24F2O/c20-18-15(9-2-1-6-14-7-5-8-14)12-13-17(19(18)21)22-16-10-3-4-11-16/h1,6,12-14,16H,2-5,7-11H2/b6-1+
InChIKeyGJDXLYWXMMFDBO-LZCJLJQNSA-N
MW306.40 g/mol
LogP5.58
Rot. Bonds6

About 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene

1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene (PubChem CID 147649188) has the molecular formula C19H24F2O and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
PubChem CID147649188
Molecular FormulaC19H24F2O
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
SMILESFc1c(CC/C=C/C2CCC2)ccc(OC2CCCC2)c1F
InChIInChI=1S/C19H24F2O/c20-18-15(9-2-1-6-14-7-5-8-14)12-13-17(19(18)21)22-16-10-3-4-11-16/h1,6,12-14,16H,2-5,7-11H2/b6-1+
InChIKeyGJDXLYWXMMFDBO-LZCJLJQNSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.58
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-cyclopentylbut-3-enyl]-2,3-difluorobenzene
CID 153282642
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopropylbut-3-enyl]-2,3-difluorobenzene
CID 153282251
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-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
CID 118886029
1-cyclobutyloxy-4-[(E)-3-cyclobutylprop-2-enoxy]-2-fluoro-3-methylbenzene
CID 158095086
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-[(E)-2-cyclobutylethenyl]-4-cyclopropyloxy-2,3-difluorobenzene
CID 147615512
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
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-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-2-fluoro-3-methylbenzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(2-cyclopropylethoxy)-3-fluoro-2-methylbenzene;1-[(E)-4-cyclopropylbut-3-enyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-(cyclopropylmethoxy)-3-fluoro-2-methylbenzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-3-fluoro-2-methylbenzene;1-(cyclopropylmethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159453388
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene (CID 147649188) is 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene is Fc1c(CC/C=C/C2CCC2)ccc(OC2CCCC2)c1F.
What is the InChIKey of 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene?
The InChIKey is GJDXLYWXMMFDBO-LZCJLJQNSA-N. The full InChI is InChI=1S/C19H24F2O/c20-18-15(9-2-1-6-14-7-5-8-14)12-13-17(19(18)21)22-16-10-3-4-11-16/h1,6,12-14,16H,2-5,7-11H2/b6-1+.
What are the key properties of 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene?
1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene has a molecular weight of 306.40 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene is sourced from PubChem (CID 147649188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).