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

C17H20F2O — CID 163533849

IUPAC1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C2CCC(C=C)CC2)c(F)c1F
InChIInChI=1S/C17H20F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyDVGYUUIFICGKBW-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.99
Rot. Bonds5

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

1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene (PubChem CID 163533849) has the molecular formula C17H20F2O and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
PubChem CID163533849
Molecular FormulaC17H20F2O
Molecular Weight278.34 g/mol
Exact Mass278.15
IUPAC Name1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C2CCC(C=C)CC2)c(F)c1F
InChIInChI=1S/C17H20F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyDVGYUUIFICGKBW-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
1-[4-[(E)-2-(2,3-difluoro-4-prop-2-enoxyphenyl)ethenyl]cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89430040
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870126
5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
CID 58021262
5-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
CID 58021165
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161378
2-[4-[4-[[4-(4-ethenylcyclohexyl)-2,3-difluorophenoxy]methyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88963935
[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl] 4-ethenylcyclohexane-1-carboxylate
CID 149417043
1-ethenyl-4-[(E)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 58140557
1-butoxy-4-[4-[4-(4-ethenylcyclohexyl)but-3-enyl]cyclohexyl]-2,3-difluorobenzene
CID 58479557

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene (CID 163533849) is 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene is C=CCOc1ccc(C2CCC(C=C)CC2)c(F)c1F.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene?
The InChIKey is DVGYUUIFICGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O/c1-3-11-20-15-10-9-14(16(18)17(15)19)13-7-5-12(4-2)6-8-13/h3-4,9-10,12-13H,1-2,5-8,11H2.
What are the key properties of 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene?
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene has a molecular weight of 278.34 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene is sourced from PubChem (CID 163533849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).