5-fluoropent-1-yne

C5H7F — CID 16756838

IUPAC5-fluoropent-1-yne
SMILESC#CCCCF
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2
InChIKeyMXYUEMWMHJSSSJ-UHFFFAOYSA-N
MW86.11 g/mol
LogP1.37
Rot. Bonds2

About 5-fluoropent-1-yne

5-fluoropent-1-yne (PubChem CID 16756838) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 5-fluoropent-1-yne.

Molecular Properties

Compound Name5-fluoropent-1-yne
PubChem CID16756838
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name5-fluoropent-1-yne
SMILESC#CCCCF
InChIInChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2
InChIKeyMXYUEMWMHJSSSJ-UHFFFAOYSA-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 ≤ 50086.11
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoropent-1-yne?
The IUPAC name of 5-fluoropent-1-yne (CID 16756838) is 5-fluoropent-1-yne.
What is the SMILES notation for 5-fluoropent-1-yne?
The canonical SMILES for 5-fluoropent-1-yne is C#CCCCF.
What is the InChIKey of 5-fluoropent-1-yne?
The InChIKey is MXYUEMWMHJSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2.
What are the key properties of 5-fluoropent-1-yne?
5-fluoropent-1-yne has a molecular weight of 86.11 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-fluoropent-1-yne is sourced from PubChem (CID 16756838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).