7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene

C23H19F5O — CID 139862507

IUPAC7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
SMILESCCCc1ccc(C(F)=C(F)c2ccc3cc(OCC)c(F)c(F)c3c2F)cc1
InChIInChI=1S/C23H19F5O/c1-3-5-13-6-8-14(9-7-13)19(24)21(26)16-11-10-15-12-17(29-4-2)22(27)23(28)18(15)20(16)25/h6-12H,3-5H2,1-2H3
InChIKeyIXLRSSOFKLADMT-UHFFFAOYSA-N
MW406.39 g/mol
LogP7.37
Rot. Bonds6

About 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene

7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene (PubChem CID 139862507) has the molecular formula C23H19F5O and a molecular weight of 406.39 g/mol. Its IUPAC name is 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene.

Molecular Properties

Compound Name7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
PubChem CID139862507
Molecular FormulaC23H19F5O
Molecular Weight406.39 g/mol
Exact Mass406.14
IUPAC Name7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
SMILESCCCc1ccc(C(F)=C(F)c2ccc3cc(OCC)c(F)c(F)c3c2F)cc1
InChIInChI=1S/C23H19F5O/c1-3-5-13-6-8-14(9-7-13)19(24)21(26)16-11-10-15-12-17(29-4-2)22(27)23(28)18(15)20(16)25/h6-12H,3-5H2,1-2H3
InChIKeyIXLRSSOFKLADMT-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.39
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 139862957
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
CID 139864021
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
CID 139862628
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
CID 139790762
2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139863148
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213
7-but-2-enoxy-3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-1,2,8-trifluoronaphthalene
CID 139861981
2-[1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-6-ethoxy-1-fluoronaphthalene
CID 139863205
2-[2-(4-but-2-enoxyphenyl)-1,2-difluoroethenyl]-1-fluoro-6-pentylnaphthalene
CID 139864068
5-[1,2-difluoro-2-[2-fluoro-4-(4-propylphenyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 123280656
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-pentylbenzene
CID 139790705
1-(4-butylphenyl)-4-[(E)-2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]naphthalene
CID 70935174

Frequently Asked Questions

What is the IUPAC name of 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene?
The IUPAC name of 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene (CID 139862507) is 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene.
What is the SMILES notation for 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene?
The canonical SMILES for 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene is CCCc1ccc(C(F)=C(F)c2ccc3cc(OCC)c(F)c(F)c3c2F)cc1.
What is the InChIKey of 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene?
The InChIKey is IXLRSSOFKLADMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5O/c1-3-5-13-6-8-14(9-7-13)19(24)21(26)16-11-10-15-12-17(29-4-2)22(27)23(28)18(15)20(16)25/h6-12H,3-5H2,1-2H3.
What are the key properties of 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene?
7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene has a molecular weight of 406.39 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene is sourced from PubChem (CID 139862507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).