4-fluoropent-2-yne

C5H7F — CID 18917109

IUPAC4-fluoropent-2-yne
SMILESCC#CC(C)F
InChIInChI=1S/C5H7F/c1-3-4-5(2)6/h5H,1-2H3
InChIKeyAABHUMDMWJKNNJ-UHFFFAOYSA-N
MW86.11 g/mol
LogP1.37
Rot. Bonds

About 4-fluoropent-2-yne

4-fluoropent-2-yne (PubChem CID 18917109) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 4-fluoropent-2-yne.

Molecular Properties

Compound Name4-fluoropent-2-yne
PubChem CID18917109
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name4-fluoropent-2-yne
SMILESCC#CC(C)F
InChIInChI=1S/C5H7F/c1-3-4-5(2)6/h5H,1-2H3
InChIKeyAABHUMDMWJKNNJ-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-1-pentyne
CID 16756838
1-Fluoro-2-butyne
CID 10153991
4-Fluorobut-1-yne
CID 23025173
Fluoropentyne
CID 53926333
1-Fluorobutyne
CID 86156721
4,4-Difluoropent-2-yne
CID 89522359
3-Fluoro-3-methylbut-1-yne
CID 23234136
1,4-Difluorobutyne
CID 129852916
5-(18F)fluoropent-1-yne
CID 11958105
4-(18F)fluorobut-1-yne
CID 59757287
1,1,1-Trifluorohepta-2,5-diyne
CID 23268589
5,5-Difluoropent-2-yne
CID 15710925

Frequently Asked Questions

What is the IUPAC name of 4-fluoropent-2-yne?
The IUPAC name of 4-fluoropent-2-yne (CID 18917109) is 4-fluoropent-2-yne.
What is the SMILES notation for 4-fluoropent-2-yne?
The canonical SMILES for 4-fluoropent-2-yne is CC#CC(C)F.
What is the InChIKey of 4-fluoropent-2-yne?
The InChIKey is AABHUMDMWJKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-3-4-5(2)6/h5H,1-2H3.
What are the key properties of 4-fluoropent-2-yne?
4-fluoropent-2-yne has a molecular weight of 86.11 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropent-2-yne is sourced from PubChem (CID 18917109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).