5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane

C30H30F4O — CID 58535403

IUPAC5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane
SMILESC=CC1CCC(CCc2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3F)c(F)c2F)CO1
InChIInChI=1S/C30H30F4O/c1-3-5-19-6-10-21(11-7-19)24-16-17-26(30(34)28(24)32)25-15-13-22(27(31)29(25)33)12-8-20-9-14-23(4-2)35-18-20/h4,6-7,10-11,13,15-17,20,23H,2-3,5,8-9,12,14,18H2,1H3
InChIKeyWVONSEWTEWSJRT-UHFFFAOYSA-N
MW482.56 g/mol
LogP8.44
Rot. Bonds8

About 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane

5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane (PubChem CID 58535403) has the molecular formula C30H30F4O and a molecular weight of 482.56 g/mol. Its IUPAC name is 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane.

Molecular Properties

Compound Name5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane
PubChem CID58535403
Molecular FormulaC30H30F4O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane
SMILESC=CC1CCC(CCc2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3F)c(F)c2F)CO1
InChIInChI=1S/C30H30F4O/c1-3-5-19-6-10-21(11-7-19)24-16-17-26(30(34)28(24)32)25-15-13-22(27(31)29(25)33)12-8-20-9-14-23(4-2)35-18-20/h4,6-7,10-11,13,15-17,20,23H,2-3,5,8-9,12,14,18H2,1H3
InChIKeyWVONSEWTEWSJRT-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 58.44
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

5-[4-[2,3-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]-2,3-difluorophenyl]-2-ethenyloxane
CID 58535362
5-but-3-enyl-2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 58535609
1-[4-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 154607339
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695
5-but-3-enyl-2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67732985
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
CID 58535586
5-[4-[4-(4-decyl-2,3-difluorophenyl)phenyl]-3-fluorophenyl]-2-ethenyloxane
CID 67733167
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
5-[4-(2,3-difluoro-4-pentylphenyl)-2-fluorophenyl]-2-ethenyloxane
CID 126764663
2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-5-ethyloxane
CID 118909760

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane?
The IUPAC name of 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane (CID 58535403) is 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane.
What is the SMILES notation for 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane?
The canonical SMILES for 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane is C=CC1CCC(CCc2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3F)c(F)c2F)CO1.
What is the InChIKey of 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane?
The InChIKey is WVONSEWTEWSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4O/c1-3-5-19-6-10-21(11-7-19)24-16-17-26(30(34)28(24)32)25-15-13-22(27(31)29(25)33)12-8-20-9-14-23(4-2)35-18-20/h4,6-7,10-11,13,15-17,20,23H,2-3,5,8-9,12,14,18H2,1H3.
What are the key properties of 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane?
5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane has a molecular weight of 482.56 g/mol, XLogP of 8.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethenyloxane is sourced from PubChem (CID 58535403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).