1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene

C24H27F3O — CID 123167531

IUPAC1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
SMILESCCOc1ccc(-c2ccc(C3CCC(C=C(F)CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C24H27F3O/c1-3-20(25)15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-13-14-22(28-4-2)24(27)23(21)26/h9-17H,3-8H2,1-2H3
InChIKeyCTDRNBJFJSZBKK-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.57
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene

1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene (PubChem CID 123167531) has the molecular formula C24H27F3O and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
PubChem CID123167531
Molecular FormulaC24H27F3O
Molecular Weight388.47 g/mol
Exact Mass388.20
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene
SMILESCCOc1ccc(-c2ccc(C3CCC(C=C(F)CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C24H27F3O/c1-3-20(25)15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-13-14-22(28-4-2)24(27)23(21)26/h9-17H,3-8H2,1-2H3
InChIKeyCTDRNBJFJSZBKK-UHFFFAOYSA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]-2-fluoroprop-2-en-1-ol
CID 118316481
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118886179
1-[4-[4-[(E)-4-(4-but-3-enylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886192
CID 67612605
CID 67612605
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-enyl]phenyl]benzene
CID 77417289
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene (CID 123167531) is 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene is CCOc1ccc(-c2ccc(C3CCC(C=C(F)CC)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
The InChIKey is CTDRNBJFJSZBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3O/c1-3-20(25)15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-13-14-22(28-4-2)24(27)23(21)26/h9-17H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene has a molecular weight of 388.47 g/mol, XLogP of 7.57, 6 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-[4-(2-fluorobut-1-enyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 123167531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).