2-(6-fluorohexyl)oxane

C11H21FO — CID 67839760

IUPAC2-(6-fluorohexyl)oxane
SMILESFCCCCCCC1CCCCO1
InChIInChI=1S/C11H21FO/c12-9-5-2-1-3-7-11-8-4-6-10-13-11/h11H,1-10H2
InChIKeyUVRFVIWLDPGIDJ-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.48
Rot. Bonds6

About 2-(6-fluorohexyl)oxane

2-(6-fluorohexyl)oxane (PubChem CID 67839760) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(6-fluorohexyl)oxane.

Molecular Properties

Compound Name2-(6-fluorohexyl)oxane
PubChem CID67839760
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-(6-fluorohexyl)oxane
SMILESFCCCCCCC1CCCCO1
InChIInChI=1S/C11H21FO/c12-9-5-2-1-3-7-11-8-4-6-10-13-11/h11H,1-10H2
InChIKeyUVRFVIWLDPGIDJ-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propyltetrahydropyran
CID 138066
2-Butyl-tetrahydro-pyran
CID 12508241
2-Pentyloxane
CID 12596605
2-Undecyltetrahydro-2H-pyran
CID 67003900
2-Fluoropropoxycyclododecane
CID 10776716
5-Fluoro-2-pentyloxane
CID 11275319
4-Fluoro-2-pentyloxolane
CID 11378659
(2R,6S)-4-fluoro-2,6-dipropyloxane
CID 14492058
4-Fluoro-2-hexyloxolane
CID 22358453
1-Fluoro-2-methoxycyclododecane
CID 85213313
(2R,6S)-4-fluoro-2,6-dipentyloxane
CID 101504275
(2S,4S)-4-fluoro-2-heptyloxane
CID 102438674

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorohexyl)oxane?
The IUPAC name of 2-(6-fluorohexyl)oxane (CID 67839760) is 2-(6-fluorohexyl)oxane.
What is the SMILES notation for 2-(6-fluorohexyl)oxane?
The canonical SMILES for 2-(6-fluorohexyl)oxane is FCCCCCCC1CCCCO1.
What is the InChIKey of 2-(6-fluorohexyl)oxane?
The InChIKey is UVRFVIWLDPGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c12-9-5-2-1-3-7-11-8-4-6-10-13-11/h11H,1-10H2.
What are the key properties of 2-(6-fluorohexyl)oxane?
2-(6-fluorohexyl)oxane has a molecular weight of 188.29 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorohexyl)oxane is sourced from PubChem (CID 67839760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).