1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene

C26H40F2O — CID 134358390

IUPAC1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene
SMILESCCCCCCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C26H40F2O/c1-3-5-6-7-18-29-24-17-16-23(25(27)26(24)28)22-14-12-21(13-15-22)20-10-8-19(4-2)9-11-20/h16-17,19-22H,3-15,18H2,1-2H3
InChIKeyCZZIJAHVIPOIFT-UHFFFAOYSA-N
MW406.60 g/mol
LogP8.41
Rot. Bonds9

About 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene

1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene (PubChem CID 134358390) has the molecular formula C26H40F2O and a molecular weight of 406.60 g/mol. Its IUPAC name is 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene.

Molecular Properties

Compound Name1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene
PubChem CID134358390
Molecular FormulaC26H40F2O
Molecular Weight406.60 g/mol
Exact Mass406.30
IUPAC Name1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene
SMILESCCCCCCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C26H40F2O/c1-3-5-6-7-18-29-24-17-16-23(25(27)26(24)28)22-14-12-21(13-15-22)20-10-8-19(4-2)9-11-20/h16-17,19-22H,3-15,18H2,1-2H3
InChIKeyCZZIJAHVIPOIFT-UHFFFAOYSA-N
XLogP8.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
2,3-difluoro-1-[4-(4-heptylcyclohexyl)cyclohexyl]-4-propoxybenzene
CID 134358385
1-butoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-heptoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-hexoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-nonoxybenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-octoxybenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-pentoxybenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-propoxybenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 158742771
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-1-octoxy-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene
CID 20621633
1-[4-[4-[(Z)-but-2-enyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-octoxybenzene
CID 134358437
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
1-butoxy-4-[4-[4-(chloromethyl)cyclohexyl]cyclohexyl]-2,3-difluorobenzene
CID 66682966
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 67738211
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738142
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738139
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene?
The IUPAC name of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene (CID 134358390) is 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene.
What is the SMILES notation for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene?
The canonical SMILES for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene is CCCCCCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene?
The InChIKey is CZZIJAHVIPOIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2O/c1-3-5-6-7-18-29-24-17-16-23(25(27)26(24)28)22-14-12-21(13-15-22)20-10-8-19(4-2)9-11-20/h16-17,19-22H,3-15,18H2,1-2H3.
What are the key properties of 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene?
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene has a molecular weight of 406.60 g/mol, XLogP of 8.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene is sourced from PubChem (CID 134358390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).