1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene

C19H24F2O — CID 59346093

IUPAC1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
SMILESC=C1CC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)C1
InChIInChI=1S/C19H24F2O/c1-3-22-17-9-8-16(18(20)19(17)21)14-6-4-13(5-7-14)15-10-12(2)11-15/h8-9,13-15H,2-7,10-11H2,1H3
InChIKeyZTLYGYHNXACEPV-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.60
Rot. Bonds4

About 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene

1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene (PubChem CID 59346093) has the molecular formula C19H24F2O and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
PubChem CID59346093
Molecular FormulaC19H24F2O
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene
SMILESC=C1CC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)C1
InChIInChI=1S/C19H24F2O/c1-3-22-17-9-8-16(18(20)19(17)21)14-6-4-13(5-7-14)15-10-12(2)11-15/h8-9,13-15H,2-7,10-11H2,1H3
InChIKeyZTLYGYHNXACEPV-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.60
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-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]acetic acid
CID 130281438
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 20621688
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 130261604
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-1-(4-fluorobutyl)silinane
CID 70260076
1-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]propan-1-ol
CID 118967053
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene (CID 59346093) is 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene is C=C1CC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)C1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene?
The InChIKey is ZTLYGYHNXACEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O/c1-3-22-17-9-8-16(18(20)19(17)21)14-6-4-13(5-7-14)15-10-12(2)11-15/h8-9,13-15H,2-7,10-11H2,1H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene has a molecular weight of 306.40 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-(3-methylidenecyclobutyl)cyclohexyl]benzene is sourced from PubChem (CID 59346093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).