2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane

C11H21FO2 — CID 150169150

IUPAC2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane
SMILESCCCCC(CC)C(F)OCC1CO1
InChIInChI=1S/C11H21FO2/c1-3-5-6-9(4-2)11(12)14-8-10-7-13-10/h9-11H,3-8H2,1-2H3
InChIKeyFJBKVNOXWRBPCJ-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.91
Rot. Bonds8

About 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane

2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane (PubChem CID 150169150) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane
PubChem CID150169150
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane
SMILESCCCCC(CC)C(F)OCC1CO1
InChIInChI=1S/C11H21FO2/c1-3-5-6-9(4-2)11(12)14-8-10-7-13-10/h9-11H,3-8H2,1-2H3
InChIKeyFJBKVNOXWRBPCJ-UHFFFAOYSA-N
XLogP2.91
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane?
The IUPAC name of 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane (CID 150169150) is 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane?
The canonical SMILES for 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane is CCCCC(CC)C(F)OCC1CO1.
What is the InChIKey of 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane?
The InChIKey is FJBKVNOXWRBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2/c1-3-5-6-9(4-2)11(12)14-8-10-7-13-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane?
2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane has a molecular weight of 204.28 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1-fluorohexoxy)methyl]oxirane is sourced from PubChem (CID 150169150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).