2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene

C22H24F2 — CID 139847826

IUPAC2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1cc(F)c(C2CCc3cc(CC)ccc3C2)c(F)c1
InChIInChI=1S/C22H24F2/c1-3-5-6-16-12-20(23)22(21(24)13-16)19-10-9-17-11-15(4-2)7-8-18(17)14-19/h3,7-8,11-13,19H,1,4-6,9-10,14H2,2H3
InChIKeyPJBVHHSRGFPEAO-UHFFFAOYSA-N
MW326.43 g/mol
LogP5.92
Rot. Bonds5

About 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene

2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139847826) has the molecular formula C22H24F2 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139847826
Molecular FormulaC22H24F2
Molecular Weight326.43 g/mol
Exact Mass326.18
IUPAC Name2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1cc(F)c(C2CCc3cc(CC)ccc3C2)c(F)c1
InChIInChI=1S/C22H24F2/c1-3-5-6-16-12-20(23)22(21(24)13-16)19-10-9-17-11-15(4-2)7-8-18(17)14-19/h3,7-8,11-13,19H,1,4-6,9-10,14H2,2H3
InChIKeyPJBVHHSRGFPEAO-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
6-but-3-enyl-2-(4-ethenyl-2,6-difluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849251
2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139848317
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847863
2-(2,6-difluoro-4-propylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849153
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
2-(2,6-difluoro-4-heptylphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849618
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849706

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene (CID 139847826) is 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene is C=CCCc1cc(F)c(C2CCc3cc(CC)ccc3C2)c(F)c1.
What is the InChIKey of 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PJBVHHSRGFPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2/c1-3-5-6-16-12-20(23)22(21(24)13-16)19-10-9-17-11-15(4-2)7-8-18(17)14-19/h3,7-8,11-13,19H,1,4-6,9-10,14H2,2H3.
What are the key properties of 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene?
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 326.43 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139847826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).