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

C22H23F3O — CID 126765062

IUPAC2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane
SMILESC=CC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)OC1
InChIInChI=1S/C22H23F3O/c1-3-5-15-6-8-16(19(23)12-15)17-9-10-18(22(25)21(17)24)20-11-7-14(4-2)13-26-20/h4,6,8-10,12,14,20H,2-3,5,7,11,13H2,1H3
InChIKeyQBENQJUCLPCGHL-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.38
Rot. Bonds5

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

2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane (PubChem CID 126765062) has the molecular formula C22H23F3O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane.

Molecular Properties

Compound Name2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane
PubChem CID126765062
Molecular FormulaC22H23F3O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane
SMILESC=CC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)OC1
InChIInChI=1S/C22H23F3O/c1-3-5-15-6-8-16(19(23)12-15)17-9-10-18(22(25)21(17)24)20-11-7-14(4-2)13-26-20/h4,6,8-10,12,14,20H,2-3,5,7,11,13H2,1H3
InChIKeyQBENQJUCLPCGHL-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.38
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

2-[2,3-difluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-5-ethenyloxane
CID 126765069
2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]-5-[(E)-prop-1-enyl]oxane
CID 58535468
5-ethenyl-2-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]oxane
CID 126765337
5-ethenyl-2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]oxane
CID 58535777
5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-(2-fluoro-4-propylphenyl)oxane
CID 58535816
5-but-3-enyl-2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluorophenyl]oxane
CID 58535609
2-[4-[4-(2,3-difluoro-4-pentylphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732645
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
5-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-2-[(E)-prop-1-enyl]oxane
CID 126765211
5-ethenyl-2-[4-[4-(6-ethoxyoxan-3-yl)-2,3-difluorophenyl]-2,3-difluorophenyl]oxane
CID 58535444
2-[4-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2-fluorophenyl]-5-ethenyloxane
CID 67732561
2-[4-[4-(4-ethenyl-2-fluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535568

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane?
The IUPAC name of 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane (CID 126765062) is 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane.
What is the SMILES notation for 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane?
The canonical SMILES for 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane is C=CC1CCC(c2ccc(-c3ccc(CCC)cc3F)c(F)c2F)OC1.
What is the InChIKey of 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane?
The InChIKey is QBENQJUCLPCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O/c1-3-5-15-6-8-16(19(23)12-15)17-9-10-18(22(25)21(17)24)20-11-7-14(4-2)13-26-20/h4,6,8-10,12,14,20H,2-3,5,7,11,13H2,1H3.
What are the key properties of 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane?
2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane has a molecular weight of 360.42 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-5-ethenyloxane is sourced from PubChem (CID 126765062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).