2-(fluoromethyl)-2-pentyloxirane

C8H15FO — CID 88675423

IUPAC2-(fluoromethyl)-2-pentyloxirane
SMILESCCCCCC1(CF)CO1
InChIInChI=1S/C8H15FO/c1-2-3-4-5-8(6-9)7-10-8/h2-7H2,1H3
InChIKeyKIWFAIVTGWWKOG-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.31
Rot. Bonds5

About 2-(fluoromethyl)-2-pentyloxirane

2-(fluoromethyl)-2-pentyloxirane (PubChem CID 88675423) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 2-(fluoromethyl)-2-pentyloxirane.

Molecular Properties

Compound Name2-(fluoromethyl)-2-pentyloxirane
PubChem CID88675423
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name2-(fluoromethyl)-2-pentyloxirane
SMILESCCCCCC1(CF)CO1
InChIInChI=1S/C8H15FO/c1-2-3-4-5-8(6-9)7-10-8/h2-7H2,1H3
InChIKeyKIWFAIVTGWWKOG-UHFFFAOYSA-N
XLogP2.31
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2-pentyloxirane?
The IUPAC name of 2-(fluoromethyl)-2-pentyloxirane (CID 88675423) is 2-(fluoromethyl)-2-pentyloxirane.
What is the SMILES notation for 2-(fluoromethyl)-2-pentyloxirane?
The canonical SMILES for 2-(fluoromethyl)-2-pentyloxirane is CCCCCC1(CF)CO1.
What is the InChIKey of 2-(fluoromethyl)-2-pentyloxirane?
The InChIKey is KIWFAIVTGWWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-2-3-4-5-8(6-9)7-10-8/h2-7H2,1H3.
What are the key properties of 2-(fluoromethyl)-2-pentyloxirane?
2-(fluoromethyl)-2-pentyloxirane has a molecular weight of 146.20 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2-pentyloxirane is sourced from PubChem (CID 88675423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).