2-fluoro-2-hexyloxirane

C8H15FO — CID 21452195

IUPAC2-fluoro-2-hexyloxirane
SMILESCCCCCCC1(F)CO1
InChIInChI=1S/C8H15FO/c1-2-3-4-5-6-8(9)7-10-8/h2-7H2,1H3
InChIKeyPUHQXEXVMWQNRH-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.65
Rot. Bonds5

About 2-fluoro-2-hexyloxirane

2-fluoro-2-hexyloxirane (PubChem CID 21452195) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 2-fluoro-2-hexyloxirane.

Molecular Properties

Compound Name2-fluoro-2-hexyloxirane
PubChem CID21452195
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name2-fluoro-2-hexyloxirane
SMILESCCCCCCC1(F)CO1
InChIInChI=1S/C8H15FO/c1-2-3-4-5-6-8(9)7-10-8/h2-7H2,1H3
InChIKeyPUHQXEXVMWQNRH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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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Related Compounds

2-fluoro-2-pentyloxetane
CID 139385698
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
2-hexyl-2-propyloxirane
CID 139691135
2-methyl-2-pentyloxirane
CID 559073
2-hexyl-2-propan-2-yloxirane
CID 170634762
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-hexyloxirane?
The IUPAC name of 2-fluoro-2-hexyloxirane (CID 21452195) is 2-fluoro-2-hexyloxirane.
What is the SMILES notation for 2-fluoro-2-hexyloxirane?
The canonical SMILES for 2-fluoro-2-hexyloxirane is CCCCCCC1(F)CO1.
What is the InChIKey of 2-fluoro-2-hexyloxirane?
The InChIKey is PUHQXEXVMWQNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-2-3-4-5-6-8(9)7-10-8/h2-7H2,1H3.
What are the key properties of 2-fluoro-2-hexyloxirane?
2-fluoro-2-hexyloxirane has a molecular weight of 146.20 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-hexyloxirane is sourced from PubChem (CID 21452195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).