3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne

C16H11F — CID 169094076

IUPAC3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne
SMILESFc1cccc2c1-c1ccccc1CCC#C2
InChIInChI=1S/C16H11F/c17-15-11-5-9-13-8-2-1-6-12-7-3-4-10-14(12)16(13)15/h3-5,7,9-11H,1,6H2
InChIKeyUUFHWWSTYHLPLD-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.79
Rot. Bonds

About 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne

3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne (PubChem CID 169094076) has the molecular formula C16H11F and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne.

Molecular Properties

Compound Name3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne
PubChem CID169094076
Molecular FormulaC16H11F
Molecular Weight222.26 g/mol
Exact Mass222.08
IUPAC Name3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne
SMILESFc1cccc2c1-c1ccccc1CCC#C2
InChIInChI=1S/C16H11F/c17-15-11-5-9-13-8-2-1-6-12-7-3-4-10-14(12)16(13)15/h3-5,7,9-11H,1,6H2
InChIKeyUUFHWWSTYHLPLD-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.79
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 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne?
The IUPAC name of 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne (CID 169094076) is 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne.
What is the SMILES notation for 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne?
The canonical SMILES for 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne is Fc1cccc2c1-c1ccccc1CCC#C2.
What is the InChIKey of 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne?
The InChIKey is UUFHWWSTYHLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F/c17-15-11-5-9-13-8-2-1-6-12-7-3-4-10-14(12)16(13)15/h3-5,7,9-11H,1,6H2.
What are the key properties of 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne?
3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne has a molecular weight of 222.26 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorotricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yne is sourced from PubChem (CID 169094076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).