1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene

C23H32F2O — CID 126759194

IUPAC1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C2CCC(C3CCC(C)(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H32F2O/c1-4-15-26-20-10-9-19(21(24)22(20)25)18-7-5-16(6-8-18)17-11-13-23(2,3)14-12-17/h4,9-10,16-18H,1,5-8,11-15H2,2-3H3
InChIKeyNJUYPXRJHKNHOF-UHFFFAOYSA-N
MW362.50 g/mol
LogP7.02
Rot. Bonds5

About 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene

1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene (PubChem CID 126759194) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
PubChem CID126759194
Molecular FormulaC23H32F2O
Molecular Weight362.50 g/mol
Exact Mass362.24
IUPAC Name1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(C2CCC(C3CCC(C)(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H32F2O/c1-4-15-26-20-10-9-19(21(24)22(20)25)18-7-5-16(6-8-18)17-11-13-23(2,3)14-12-17/h4,9-10,16-18H,1,5-8,11-15H2,2-3H3
InChIKeyNJUYPXRJHKNHOF-UHFFFAOYSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.02
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

2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
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
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-5-fluoro-5-propyl-1,3-dioxane
CID 118593950
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-prop-2-enoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837474
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 134358461
1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
CID 145436427
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
CID 59346093

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene?
The IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene (CID 126759194) is 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene?
The canonical SMILES for 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene is C=CCOc1ccc(C2CCC(C3CCC(C)(C)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene?
The InChIKey is NJUYPXRJHKNHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O/c1-4-15-26-20-10-9-19(21(24)22(20)25)18-7-5-16(6-8-18)17-11-13-23(2,3)14-12-17/h4,9-10,16-18H,1,5-8,11-15H2,2-3H3.
What are the key properties of 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene?
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene has a molecular weight of 362.50 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene is sourced from PubChem (CID 126759194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).