1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene

C21H22F2O — CID 134359475

IUPAC1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F
InChIInChI=1S/C21H22F2O/c1-2-14-24-19-13-12-18(20(22)21(19)23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h2,8-13,15H,1,3-7,14H2
InChIKeyYFEURSPIRMCYFF-UHFFFAOYSA-N
MW328.40 g/mol
LogP6.24
Rot. Bonds5

About 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene

1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene (PubChem CID 134359475) has the molecular formula C21H22F2O and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
PubChem CID134359475
Molecular FormulaC21H22F2O
Molecular Weight328.40 g/mol
Exact Mass328.16
IUPAC Name1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F
InChIInChI=1S/C21H22F2O/c1-2-14-24-19-13-12-18(20(22)21(19)23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h2,8-13,15H,1,3-7,14H2
InChIKeyYFEURSPIRMCYFF-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 56.24
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-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 88998143
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
1-(4-cyclohexylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67739870
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 77345350
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 118858832
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane
CID 58021475
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
1-[4-(4-cyclohexyl-3-fluorophenyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 159997801
5-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-3-fluorophenyl]-2-prop-1-enyloxane
CID 77344223

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The IUPAC name of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene (CID 134359475) is 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene is C=CCOc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The InChIKey is YFEURSPIRMCYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2O/c1-2-14-24-19-13-12-18(20(22)21(19)23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h2,8-13,15H,1,3-7,14H2.
What are the key properties of 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene?
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene has a molecular weight of 328.40 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene is sourced from PubChem (CID 134359475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).