2-(1-fluorohexyl)oxirane;oxetane

C11H21FO2 — CID 21411185

IUPAC2-(1-fluorohexyl)oxirane;oxetane
SMILESC1COC1.CCCCCC(F)C1CO1
InChIInChI=1S/C8H15FO.C3H6O/c1-2-3-4-5-7(9)8-6-10-8;1-2-4-3-1/h7-8H,2-6H2,1H3;1-3H2
InChIKeyYLUAROKNBUUYRT-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-fluorohexyl)oxirane;oxetane

2-(1-fluorohexyl)oxirane;oxetane (PubChem CID 21411185) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(1-fluorohexyl)oxirane;oxetane.

Molecular Properties

Compound Name2-(1-fluorohexyl)oxirane;oxetane
PubChem CID21411185
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name2-(1-fluorohexyl)oxirane;oxetane
SMILESC1COC1.CCCCCC(F)C1CO1
InChIInChI=1S/C8H15FO.C3H6O/c1-2-3-4-5-7(9)8-6-10-8;1-2-4-3-1/h7-8H,2-6H2,1H3;1-3H2
InChIKeyYLUAROKNBUUYRT-UHFFFAOYSA-N
XLogP2.71
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-fluoroheptyl)oxirane
CID 57127668
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
2-dodecan-5-yl-1,3-dioxane
CID 174238614
2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane
CID 139967601
2-(1-tetradecoxyicosyl)oxirane
CID 88767792
2-[1-[1-(oxiran-2-yl)hexadecylsulfanyloxysulfanyl]hexadecyl]oxirane
CID 139967599
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
2-[1-[1-(oxiran-2-yl)undecylsulfanyloxysulfanyl]undecyl]oxirane
CID 139817185
2-heptan-2-yloxane
CID 67835602

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorohexyl)oxirane;oxetane?
The IUPAC name of 2-(1-fluorohexyl)oxirane;oxetane (CID 21411185) is 2-(1-fluorohexyl)oxirane;oxetane.
What is the SMILES notation for 2-(1-fluorohexyl)oxirane;oxetane?
The canonical SMILES for 2-(1-fluorohexyl)oxirane;oxetane is C1COC1.CCCCCC(F)C1CO1.
What is the InChIKey of 2-(1-fluorohexyl)oxirane;oxetane?
The InChIKey is YLUAROKNBUUYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO.C3H6O/c1-2-3-4-5-7(9)8-6-10-8;1-2-4-3-1/h7-8H,2-6H2,1H3;1-3H2.
What are the key properties of 2-(1-fluorohexyl)oxirane;oxetane?
2-(1-fluorohexyl)oxirane;oxetane has a molecular weight of 204.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorohexyl)oxirane;oxetane is sourced from PubChem (CID 21411185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).