1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene

C24H29F3O — CID 59874068

IUPAC1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2)CC1
InChIInChI=1S/C24H29F3O/c1-3-5-6-16-7-9-17(10-8-16)18-11-12-19(21(25)15-18)20-13-14-22(28-4-2)24(27)23(20)26/h11-17H,3-10H2,1-2H3
InChIKeyUKQQQZJPHJOXFN-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.63
Rot. Bonds7

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

1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 59874068) has the molecular formula C24H29F3O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID59874068
Molecular FormulaC24H29F3O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2)CC1
InChIInChI=1S/C24H29F3O/c1-3-5-6-16-7-9-17(10-8-16)18-11-12-19(21(25)15-18)20-13-14-22(28-4-2)24(27)23(20)26/h11-17H,3-10H2,1-2H3
InChIKeyUKQQQZJPHJOXFN-UHFFFAOYSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071
2,3-difluoro-1-[2-fluoro-4-(4-octylcyclohexyl)phenyl]-4-nonoxybenzene
CID 59874121
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 162516344
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]phenyl]benzene
CID 154607093
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
3-[4-(4-butylcyclohexyl)phenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 101366813
2-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-5-heptyloxane
CID 126764815
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
1-butoxy-2,3-difluoro-4-[2-fluoro-4-[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118888425
2-fluoro-1-[2-fluoro-4-[4-(5-fluoropentyl)cyclohexyl]phenyl]-4-(4-pentylcyclohexyl)benzene
CID 21265293
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-heptoxybenzene
CID 67737369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene (CID 59874068) is 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene is CCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2)CC1.
What is the InChIKey of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is UKQQQZJPHJOXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3O/c1-3-5-6-16-7-9-17(10-8-16)18-11-12-19(21(25)15-18)20-13-14-22(28-4-2)24(27)23(20)26/h11-17H,3-10H2,1-2H3.
What are the key properties of 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene?
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 390.49 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 59874068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).