1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene

C25H28F4O2 — CID 89316042

IUPAC1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene
SMILESCCOc1ccc(/C=C/C(F)(F)Oc2ccc(C3CCC(CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C25H28F4O2/c1-3-17-5-7-18(8-6-17)19-9-12-21(13-10-19)31-25(28,29)16-15-20-11-14-22(30-4-2)24(27)23(20)26/h9-18H,3-8H2,1-2H3/b16-15+
InChIKeyBBNQZODHFRELFM-FOCLMDBBSA-N
MW436.49 g/mol
LogP7.73
Rot. Bonds8

About 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene

1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene (PubChem CID 89316042) has the molecular formula C25H28F4O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene
PubChem CID89316042
Molecular FormulaC25H28F4O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene
SMILESCCOc1ccc(/C=C/C(F)(F)Oc2ccc(C3CCC(CC)CC3)cc2)c(F)c1F
InChIInChI=1S/C25H28F4O2/c1-3-17-5-7-18(8-6-17)19-9-12-21(13-10-19)31-25(28,29)16-15-20-11-14-22(30-4-2)24(27)23(20)26/h9-18H,3-8H2,1-2H3/b16-15+
InChIKeyBBNQZODHFRELFM-FOCLMDBBSA-N
XLogP7.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene with MolForge

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Related Compounds

5-[(E)-1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]prop-2-enoxy]-1,2,3-trifluorobenzene
CID 58077480
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
1-[[4-[4-(4-but-3-enylcyclohexyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 154607274
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[3,3-difluoro-3-[4-(4-propylcyclohexyl)phenoxy]propyl]-1-ethoxy-2,3-difluoro-5-methylbenzene
CID 59592366
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-ethoxy-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-2,3-difluorobenzene
CID 21353205
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
1-[difluoro-[4-[4-[(E)-pent-2-enyl]cyclohexyl]phenoxy]methyl]-2,3-difluoro-4-methoxybenzene
CID 20576251
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]ethanamine
CID 131994381

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene (CID 89316042) is 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene is CCOc1ccc(/C=C/C(F)(F)Oc2ccc(C3CCC(CC)CC3)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene?
The InChIKey is BBNQZODHFRELFM-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H28F4O2/c1-3-17-5-7-18(8-6-17)19-9-12-21(13-10-19)31-25(28,29)16-15-20-11-14-22(30-4-2)24(27)23(20)26/h9-18H,3-8H2,1-2H3/b16-15+.
What are the key properties of 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene?
1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene has a molecular weight of 436.49 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(E)-3-[4-(4-ethylcyclohexyl)phenoxy]-3,3-difluoroprop-1-enyl]-2,3-difluorobenzene is sourced from PubChem (CID 89316042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).