1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene

C18H26F2O — CID 53418384

IUPAC1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
SMILESCCCCC1CCC(c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C18H26F2O/c1-3-5-6-13-7-9-14(10-8-13)15-11-12-16(21-4-2)18(20)17(15)19/h11-14H,3-10H2,1-2H3
InChIKeySPUIKFOOAHSYCG-UHFFFAOYSA-N
MW296.40 g/mol
LogP5.83
Rot. Bonds6

About 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene

1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene (PubChem CID 53418384) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
PubChem CID53418384
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
SMILESCCCCC1CCC(c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C18H26F2O/c1-3-5-6-13-7-9-14(10-8-13)15-11-12-16(21-4-2)18(20)17(15)19/h11-14H,3-10H2,1-2H3
InChIKeySPUIKFOOAHSYCG-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
1-ethoxy-2,3-difluoro-4-[4-[1-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 19103586
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161445027
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
1-(4-butylcyclohexyl)-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene
CID 134358667
1-ethoxy-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 160550252
4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butyl]-1-propylsilinane
CID 54737115
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
CID 162516345
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
bis[3-[2,3-difluoro-4-(4-pentylcyclohexyl)phenoxy]propoxy]-oxophosphanium
CID 175093052

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene (CID 53418384) is 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene is CCCCC1CCC(c2ccc(OCC)c(F)c2F)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene?
The InChIKey is SPUIKFOOAHSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O/c1-3-5-6-13-7-9-14(10-8-13)15-11-12-16(21-4-2)18(20)17(15)19/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene?
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene has a molecular weight of 296.40 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 53418384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).