1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene

C25H38F2O2 — CID 54331171

IUPAC1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
SMILESCCCCCCCCCCOC1CCC(C=Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C25H38F2O2/c1-2-3-4-5-6-7-8-9-20-28-23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)29-25(26)27/h10-11,14-15,18-19,21,23,25H,2-9,12-13,16-17,20H2,1H3
InChIKeySYLNLYSRJBZEFD-UHFFFAOYSA-N
MW408.57 g/mol
LogP8.02
Rot. Bonds14

About 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene

1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene (PubChem CID 54331171) has the molecular formula C25H38F2O2 and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
PubChem CID54331171
Molecular FormulaC25H38F2O2
Molecular Weight408.57 g/mol
Exact Mass408.28
IUPAC Name1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
SMILESCCCCCCCCCCOC1CCC(C=Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C25H38F2O2/c1-2-3-4-5-6-7-8-9-20-28-23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)29-25(26)27/h10-11,14-15,18-19,21,23,25H,2-9,12-13,16-17,20H2,1H3
InChIKeySYLNLYSRJBZEFD-UHFFFAOYSA-N
XLogP8.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-heptoxycyclohexyl)ethenyl]benzene
CID 54015791
1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
CID 54255138
2-butoxy-6-[4-(difluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139865676
heptoxycyclopropane
CID 54099544
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429642
1-(4-butoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89430582
1-butoxy-4-[4-[(E)-2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89429620
1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene
CID 67899019
1-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
2-fluoro-4-[(E)-2-[4-(4-octoxycyclohexyl)phenyl]ethenyl]-1-(trifluoromethyl)benzene
CID 90049197
1-hexoxy-4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19380514
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
The IUPAC name of 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene (CID 54331171) is 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene.
What is the SMILES notation for 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
The canonical SMILES for 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene is CCCCCCCCCCOC1CCC(C=Cc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
The InChIKey is SYLNLYSRJBZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38F2O2/c1-2-3-4-5-6-7-8-9-20-28-23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)29-25(26)27/h10-11,14-15,18-19,21,23,25H,2-9,12-13,16-17,20H2,1H3.
What are the key properties of 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene has a molecular weight of 408.57 g/mol, XLogP of 8.02, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene is sourced from PubChem (CID 54331171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).