5-(18F)fluoropent-1-yne

C5H7F — CID 11958105

IUPAC5-(18F)fluoropent-1-yne
SMILESC#CCCC[18F]
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2/i6-1
InChIKeyMXYUEMWMHJSSSJ-KWCOIAHCSA-N
MW85.11 g/mol
LogP1.37
Rot. Bonds2

About 5-(18F)fluoropent-1-yne

5-(18F)fluoropent-1-yne (PubChem CID 11958105) has the molecular formula C5H7F and a molecular weight of 85.11 g/mol. Its IUPAC name is 5-(18F)fluoropent-1-yne.

Molecular Properties

Compound Name5-(18F)fluoropent-1-yne
PubChem CID11958105
Molecular FormulaC5H7F
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name5-(18F)fluoropent-1-yne
SMILESC#CCCC[18F]
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2/i6-1
InChIKeyMXYUEMWMHJSSSJ-KWCOIAHCSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyne, 6-fluoro-
CID 9762
5-Fluoro-1-pentyne
CID 16756838
4-Fluorobut-1-yne
CID 23025173
Fluoropentyne
CID 53926333
1-Fluorobutyne
CID 86156721
5,5,5-Trifluoropent-1-yne
CID 87964902
3-Fluoro-3-methylbut-1-yne
CID 23234136
1,4-Difluorobutyne
CID 129852916
4-(18F)fluorobut-1-yne
CID 59757287
6-(18F)fluorohex-1-yne
CID 153694831
4,4-Difluorobut-1-yne
CID 15710921
5-Fluoropent-2-yne
CID 18917079

Frequently Asked Questions

What is the IUPAC name of 5-(18F)fluoropent-1-yne?
The IUPAC name of 5-(18F)fluoropent-1-yne (CID 11958105) is 5-(18F)fluoropent-1-yne.
What is the SMILES notation for 5-(18F)fluoropent-1-yne?
The canonical SMILES for 5-(18F)fluoropent-1-yne is C#CCCC[18F].
What is the InChIKey of 5-(18F)fluoropent-1-yne?
The InChIKey is MXYUEMWMHJSSSJ-KWCOIAHCSA-N. The full InChI is InChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2/i6-1.
What are the key properties of 5-(18F)fluoropent-1-yne?
5-(18F)fluoropent-1-yne has a molecular weight of 85.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(18F)fluoropent-1-yne is sourced from PubChem (CID 11958105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).