5-fluoro-2,3-didehydro-1,4-dihydronaphthalene

C10H7F — CID 143897224

IUPAC5-fluoro-2,3-didehydro-1,4-dihydronaphthalene
SMILESFc1cccc2c1CC#CC2
InChIInChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,4,6H2
InChIKeyFWWMXELHAMPPDM-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.93
Rot. Bonds

About 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene

5-fluoro-2,3-didehydro-1,4-dihydronaphthalene (PubChem CID 143897224) has the molecular formula C10H7F and a molecular weight of 146.16 g/mol. Its IUPAC name is 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-2,3-didehydro-1,4-dihydronaphthalene
PubChem CID143897224
Molecular FormulaC10H7F
Molecular Weight146.16 g/mol
Exact Mass146.05
IUPAC Name5-fluoro-2,3-didehydro-1,4-dihydronaphthalene
SMILESFc1cccc2c1CC#CC2
InChIInChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,4,6H2
InChIKeyFWWMXELHAMPPDM-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene?
The IUPAC name of 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene (CID 143897224) is 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene?
The canonical SMILES for 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene is Fc1cccc2c1CC#CC2.
What is the InChIKey of 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene?
The InChIKey is FWWMXELHAMPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,4,6H2.
What are the key properties of 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene?
5-fluoro-2,3-didehydro-1,4-dihydronaphthalene has a molecular weight of 146.16 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-didehydro-1,4-dihydronaphthalene is sourced from PubChem (CID 143897224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).