3-fluorobut-1-yne;fluoromethane

C5H8F2 — CID 91026864

IUPAC3-fluorobut-1-yne;fluoromethane
SMILESC#CC(C)F.CF
InChIInChI=1S/C4H5F.CH3F/c1-3-4(2)5;1-2/h1,4H,2H3;1H3
InChIKeyXGXBIEIYWWDDSQ-UHFFFAOYSA-N
MW106.11 g/mol
LogP1.56
Rot. Bonds

About 3-fluorobut-1-yne;fluoromethane

3-fluorobut-1-yne;fluoromethane (PubChem CID 91026864) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is 3-fluorobut-1-yne;fluoromethane.

Molecular Properties

Compound Name3-fluorobut-1-yne;fluoromethane
PubChem CID91026864
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name3-fluorobut-1-yne;fluoromethane
SMILESC#CC(C)F.CF
InChIInChI=1S/C4H5F.CH3F/c1-3-4(2)5;1-2/h1,4H,2H3;1H3
InChIKeyXGXBIEIYWWDDSQ-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 51.56
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-fluorobut-1-yne;fluoromethane?
The IUPAC name of 3-fluorobut-1-yne;fluoromethane (CID 91026864) is 3-fluorobut-1-yne;fluoromethane.
What is the SMILES notation for 3-fluorobut-1-yne;fluoromethane?
The canonical SMILES for 3-fluorobut-1-yne;fluoromethane is C#CC(C)F.CF.
What is the InChIKey of 3-fluorobut-1-yne;fluoromethane?
The InChIKey is XGXBIEIYWWDDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F.CH3F/c1-3-4(2)5;1-2/h1,4H,2H3;1H3.
What are the key properties of 3-fluorobut-1-yne;fluoromethane?
3-fluorobut-1-yne;fluoromethane has a molecular weight of 106.11 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobut-1-yne;fluoromethane is sourced from PubChem (CID 91026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).