(2R,6S)-2,6-dibutyl-4-fluorooxane

C13H25FO — CID 154716013

IUPAC(2R,6S)-2,6-dibutyl-4-fluorooxane
SMILESCCCC[C@@H]1CC(F)C[C@H](CCCC)O1
InChIInChI=1S/C13H25FO/c1-3-5-7-12-9-11(14)10-13(15-12)8-6-4-2/h11-13H,3-10H2,1-2H3/t11?,12-,13+
InChIKeyHXMZVGUJPYKCPK-YHWZYXNKSA-N
MW216.34 g/mol
LogP4.25
Rot. Bonds6

About (2R,6S)-2,6-dibutyl-4-fluorooxane

(2R,6S)-2,6-dibutyl-4-fluorooxane (PubChem CID 154716013) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is (2R,6S)-2,6-dibutyl-4-fluorooxane.

Molecular Properties

Compound Name(2R,6S)-2,6-dibutyl-4-fluorooxane
PubChem CID154716013
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name(2R,6S)-2,6-dibutyl-4-fluorooxane
SMILESCCCC[C@@H]1CC(F)C[C@H](CCCC)O1
InChIInChI=1S/C13H25FO/c1-3-5-7-12-9-11(14)10-13(15-12)8-6-4-2/h11-13H,3-10H2,1-2H3/t11?,12-,13+
InChIKeyHXMZVGUJPYKCPK-YHWZYXNKSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclododecane, propoxy-
CID 105765
2-Propyltetrahydropyran
CID 138066
2-Butoxyoctane
CID 10976213
Octane, 2-ethoxy-
CID 3375569
2-Ethoxydecane
CID 12838329
2-Fluoro-3-octyloxirane
CID 149804289
Isopropyl octyl ether
CID 15562510
Cyclododecane, ethoxy-
CID 11264326
2-Butyl-tetrahydro-pyran
CID 12508241
2-Hexyl-1,4-dioxane
CID 12555016
2-Pentyloxane
CID 12596605
Ethyl 1-ethylheptyl ether
CID 5320196

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dibutyl-4-fluorooxane?
The IUPAC name of (2R,6S)-2,6-dibutyl-4-fluorooxane (CID 154716013) is (2R,6S)-2,6-dibutyl-4-fluorooxane.
What is the SMILES notation for (2R,6S)-2,6-dibutyl-4-fluorooxane?
The canonical SMILES for (2R,6S)-2,6-dibutyl-4-fluorooxane is CCCC[C@@H]1CC(F)C[C@H](CCCC)O1.
What is the InChIKey of (2R,6S)-2,6-dibutyl-4-fluorooxane?
The InChIKey is HXMZVGUJPYKCPK-YHWZYXNKSA-N. The full InChI is InChI=1S/C13H25FO/c1-3-5-7-12-9-11(14)10-13(15-12)8-6-4-2/h11-13H,3-10H2,1-2H3/t11?,12-,13+.
What are the key properties of (2R,6S)-2,6-dibutyl-4-fluorooxane?
(2R,6S)-2,6-dibutyl-4-fluorooxane has a molecular weight of 216.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dibutyl-4-fluorooxane is sourced from PubChem (CID 154716013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).