5-fluoro-6-phenyl-1,2-dihydronaphthalene

C16H13F — CID 170408544

IUPAC5-fluoro-6-phenyl-1,2-dihydronaphthalene
SMILESFc1c(-c2ccccc2)ccc2c1C=CCC2
InChIInChI=1S/C16H13F/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-3,5-7,9-11H,4,8H2
InChIKeyRQSUZRYPJYFDMX-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.45
Rot. Bonds1

About 5-fluoro-6-phenyl-1,2-dihydronaphthalene

5-fluoro-6-phenyl-1,2-dihydronaphthalene (PubChem CID 170408544) has the molecular formula C16H13F and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-6-phenyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-6-phenyl-1,2-dihydronaphthalene
PubChem CID170408544
Molecular FormulaC16H13F
Molecular Weight224.28 g/mol
Exact Mass224.10
IUPAC Name5-fluoro-6-phenyl-1,2-dihydronaphthalene
SMILESFc1c(-c2ccccc2)ccc2c1C=CCC2
InChIInChI=1S/C16H13F/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-3,5-7,9-11H,4,8H2
InChIKeyRQSUZRYPJYFDMX-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-phenyl-1,2-dihydronaphthalene?
The IUPAC name of 5-fluoro-6-phenyl-1,2-dihydronaphthalene (CID 170408544) is 5-fluoro-6-phenyl-1,2-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-6-phenyl-1,2-dihydronaphthalene?
The canonical SMILES for 5-fluoro-6-phenyl-1,2-dihydronaphthalene is Fc1c(-c2ccccc2)ccc2c1C=CCC2.
What is the InChIKey of 5-fluoro-6-phenyl-1,2-dihydronaphthalene?
The InChIKey is RQSUZRYPJYFDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F/c17-16-14-9-5-4-8-13(14)10-11-15(16)12-6-2-1-3-7-12/h1-3,5-7,9-11H,4,8H2.
What are the key properties of 5-fluoro-6-phenyl-1,2-dihydronaphthalene?
5-fluoro-6-phenyl-1,2-dihydronaphthalene has a molecular weight of 224.28 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenyl-1,2-dihydronaphthalene is sourced from PubChem (CID 170408544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).