5-fluorocycloheptyne

C7H9F — CID 11350034

IUPAC5-fluorocycloheptyne
SMILESFC1CCC#CCC1
InChIInChI=1S/C7H9F/c8-7-5-3-1-2-4-6-7/h7H,3-6H2
InChIKeyNXOYTUJCRGPJAO-UHFFFAOYSA-N
MW112.15 g/mol
LogP1.90
Rot. Bonds

About 5-fluorocycloheptyne

5-fluorocycloheptyne (PubChem CID 11350034) has the molecular formula C7H9F and a molecular weight of 112.15 g/mol. Its IUPAC name is 5-fluorocycloheptyne.

Molecular Properties

Compound Name5-fluorocycloheptyne
PubChem CID11350034
Molecular FormulaC7H9F
Molecular Weight112.15 g/mol
Exact Mass112.07
IUPAC Name5-fluorocycloheptyne
SMILESFC1CCC#CCC1
InChIInChI=1S/C7H9F/c8-7-5-3-1-2-4-6-7/h7H,3-6H2
InChIKeyNXOYTUJCRGPJAO-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.90
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-fluorocycloheptyne?
The IUPAC name of 5-fluorocycloheptyne (CID 11350034) is 5-fluorocycloheptyne.
What is the SMILES notation for 5-fluorocycloheptyne?
The canonical SMILES for 5-fluorocycloheptyne is FC1CCC#CCC1.
What is the InChIKey of 5-fluorocycloheptyne?
The InChIKey is NXOYTUJCRGPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F/c8-7-5-3-1-2-4-6-7/h7H,3-6H2.
What are the key properties of 5-fluorocycloheptyne?
5-fluorocycloheptyne has a molecular weight of 112.15 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorocycloheptyne is sourced from PubChem (CID 11350034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).