2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene

C20H19F3 — CID 139848317

IUPAC2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1cc(F)c(C2CCc3ccc(F)cc3C2)c(F)c1
InChIInChI=1S/C20H19F3/c1-2-3-4-13-9-18(22)20(19(23)10-13)15-6-5-14-7-8-17(21)12-16(14)11-15/h2,7-10,12,15H,1,3-6,11H2
InChIKeyAEWGEXKNIKWXQU-UHFFFAOYSA-N
MW316.37 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene

2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848317) has the molecular formula C20H19F3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139848317
Molecular FormulaC20H19F3
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1cc(F)c(C2CCc3ccc(F)cc3C2)c(F)c1
InChIInChI=1S/C20H19F3/c1-2-3-4-13-9-18(22)20(19(23)10-13)15-6-5-14-7-8-17(21)12-16(14)11-15/h2,7-10,12,15H,1,3-6,11H2
InChIKeyAEWGEXKNIKWXQU-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.37
LogP ≤ 55.49
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

2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
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-(2,6-difluoro-4-heptylphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849618
2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849264
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847863
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
2-(2,6-difluoro-4-heptylphenyl)-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848164
2-(4-but-3-enylphenyl)-7-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847963
2-(2,6-difluoro-4-propylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849153
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-7-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848307

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139848317) is 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene is C=CCCc1cc(F)c(C2CCc3ccc(F)cc3C2)c(F)c1.
What is the InChIKey of 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AEWGEXKNIKWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3/c1-2-3-4-13-9-18(22)20(19(23)10-13)15-6-5-14-7-8-17(21)12-16(14)11-15/h2,7-10,12,15H,1,3-6,11H2.
What are the key properties of 2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene?
2-(4-but-3-enyl-2,6-difluorophenyl)-7-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 316.37 g/mol, XLogP of 5.49, 4 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)-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).