7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene

C21H22F2 — CID 139853229

IUPAC7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCc2cc(-c3ccc(F)cc3)c(F)cc2C1
InChIInChI=1S/C21H22F2/c1-2-3-4-5-15-6-7-17-13-20(21(23)14-18(17)12-15)16-8-10-19(22)11-9-16/h2-3,8-11,13-15H,4-7,12H2,1H3/b3-2+
InChIKeyAGTORMRLKNKPCV-NSCUHMNNSA-N
MW312.40 g/mol
LogP6.09
Rot. Bonds4

About 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene

7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853229) has the molecular formula C21H22F2 and a molecular weight of 312.40 g/mol. Its IUPAC name is 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139853229
Molecular FormulaC21H22F2
Molecular Weight312.40 g/mol
Exact Mass312.17
IUPAC Name7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCC1CCc2cc(-c3ccc(F)cc3)c(F)cc2C1
InChIInChI=1S/C21H22F2/c1-2-3-4-5-15-6-7-17-13-20(21(23)14-18(17)12-15)16-8-10-19(22)11-9-16/h2-3,8-11,13-15H,4-7,12H2,1H3/b3-2+
InChIKeyAGTORMRLKNKPCV-NSCUHMNNSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.40
LogP ≤ 56.09
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

7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852837
2-ethyl-7-fluoro-6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852706
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
6-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852063
7-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139847974
6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852890
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848472
2-(3,4-difluorophenyl)-7-[(E)-pent-3-enyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045541
2,3-difluoro-4-[4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]phenyl]phenyl]phenol
CID 67748414
2,6-difluoro-4-[6-[4-[(E)-pent-3-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzonitrile
CID 139852942
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848750
1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]phenyl]-2-methylbenzene
CID 70950773

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene (CID 139853229) is 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/CCC1CCc2cc(-c3ccc(F)cc3)c(F)cc2C1.
What is the InChIKey of 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AGTORMRLKNKPCV-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H22F2/c1-2-3-4-5-15-6-7-17-13-20(21(23)14-18(17)12-15)16-8-10-19(22)11-9-16/h2-3,8-11,13-15H,4-7,12H2,1H3/b3-2+.
What are the key properties of 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene?
7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 312.40 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(4-fluorophenyl)-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).