1-(2-fluoroethoxy)-4-methylpent-2-yne

C8H13FO — CID 176599444

IUPAC1-(2-fluoroethoxy)-4-methylpent-2-yne
SMILESCC(C)C#CCOCCF
InChIInChI=1S/C8H13FO/c1-8(2)4-3-6-10-7-5-9/h8H,5-7H2,1-2H3
InChIKeyHLKZKEBVTNLMIG-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.63
Rot. Bonds3

About 1-(2-fluoroethoxy)-4-methylpent-2-yne

1-(2-fluoroethoxy)-4-methylpent-2-yne (PubChem CID 176599444) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-4-methylpent-2-yne.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-4-methylpent-2-yne
PubChem CID176599444
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1-(2-fluoroethoxy)-4-methylpent-2-yne
SMILESCC(C)C#CCOCCF
InChIInChI=1S/C8H13FO/c1-8(2)4-3-6-10-7-5-9/h8H,5-7H2,1-2H3
InChIKeyHLKZKEBVTNLMIG-UHFFFAOYSA-N
XLogP1.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-fluoroethoxy)-4-methylpent-2-yne?
The IUPAC name of 1-(2-fluoroethoxy)-4-methylpent-2-yne (CID 176599444) is 1-(2-fluoroethoxy)-4-methylpent-2-yne.
What is the SMILES notation for 1-(2-fluoroethoxy)-4-methylpent-2-yne?
The canonical SMILES for 1-(2-fluoroethoxy)-4-methylpent-2-yne is CC(C)C#CCOCCF.
What is the InChIKey of 1-(2-fluoroethoxy)-4-methylpent-2-yne?
The InChIKey is HLKZKEBVTNLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-8(2)4-3-6-10-7-5-9/h8H,5-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethoxy)-4-methylpent-2-yne?
1-(2-fluoroethoxy)-4-methylpent-2-yne has a molecular weight of 144.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-4-methylpent-2-yne is sourced from PubChem (CID 176599444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).