1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene

C24H24F4O — CID 76631877

IUPAC1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene
SMILESCC=CCCc1ccc(C2CC=C(c3ccc(OC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C24H24F4O/c1-3-4-5-6-17-11-12-18(22(26)21(17)25)15-7-9-16(10-8-15)19-13-14-20(29-2)24(28)23(19)27/h3-4,9,11-15H,5-8,10H2,1-2H3
InChIKeyUSQNNSPKJIGLKY-UHFFFAOYSA-N
MW404.45 g/mol
LogP7.11
Rot. Bonds6

About 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene

1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene (PubChem CID 76631877) has the molecular formula C24H24F4O and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene.

Molecular Properties

Compound Name1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene
PubChem CID76631877
Molecular FormulaC24H24F4O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene
SMILESCC=CCCc1ccc(C2CC=C(c3ccc(OC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C24H24F4O/c1-3-4-5-6-17-11-12-18(22(26)21(17)25)15-7-9-16(10-8-15)19-13-14-20(29-2)24(28)23(19)27/h3-4,9,11-15H,5-8,10H2,1-2H3
InChIKeyUSQNNSPKJIGLKY-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]oxymethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453760
1-[4-[4-[[4-(2,3-difluoro-4-pent-3-enylphenyl)cyclohexyl]oxymethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 76790642
1-[4-[4-[2-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]cyclohexyl]ethyl]cyclohexyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453838
1-[4-[4-[[2,3-difluoro-4-[(E)-pent-3-enyl]phenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856344
2-[4-[4-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967719
1-butoxy-4-[2-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexen-1-yl]-2,3-difluorophenyl]ethyl]-2,3-difluorobenzene
CID 88856444
1-butoxy-4-[4-[[4-(2,3-difluoro-4-pent-3-enylphenyl)cyclohex-3-en-1-yl]oxymethyl]-2,3-difluorophenyl]-2,3-difluorobenzene
CID 123521141
1-[4-[4-[[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]-2,3-difluorophenyl]methoxy]cyclohexyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453779
1-[4-[4-[2-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]ethyl]-2,3-difluorophenyl]cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
CID 58453582
1-[2-(2,3-difluoro-4-pentylphenyl)ethyl]-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 88856447
2-[4-[4-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]oxymethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967774
1-[4-(2,3-difluoro-4-pentylphenyl)cyclohexyl]-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohex-3-en-1-yl]-2,3-difluorobenzene
CID 58453857

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene?
The IUPAC name of 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene (CID 76631877) is 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene.
What is the SMILES notation for 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene?
The canonical SMILES for 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene is CC=CCCc1ccc(C2CC=C(c3ccc(OC)c(F)c3F)CC2)c(F)c1F.
What is the InChIKey of 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene?
The InChIKey is USQNNSPKJIGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4O/c1-3-4-5-6-17-11-12-18(22(26)21(17)25)15-7-9-16(10-8-15)19-13-14-20(29-2)24(28)23(19)27/h3-4,9,11-15H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene?
1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene has a molecular weight of 404.45 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohex-3-en-1-yl]-2,3-difluoro-4-pent-3-enylbenzene is sourced from PubChem (CID 76631877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).