(2R,6S)-4-fluoro-2,6-dipropyloxane

C11H21FO — CID 14492058

IUPAC(2R,6S)-4-fluoro-2,6-dipropyloxane
SMILESCCC[C@@H]1CC(F)C[C@H](CCC)O1
InChIInChI=1S/C11H21FO/c1-3-5-10-7-9(12)8-11(13-10)6-4-2/h9-11H,3-8H2,1-2H3/t9?,10-,11+
InChIKeyGNNIHZODKQNODE-FGWVZKOKSA-N
MW188.29 g/mol
LogP3.47
Rot. Bonds4

About (2R,6S)-4-fluoro-2,6-dipropyloxane

(2R,6S)-4-fluoro-2,6-dipropyloxane (PubChem CID 14492058) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is (2R,6S)-4-fluoro-2,6-dipropyloxane.

Molecular Properties

Compound Name(2R,6S)-4-fluoro-2,6-dipropyloxane
PubChem CID14492058
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(2R,6S)-4-fluoro-2,6-dipropyloxane
SMILESCCC[C@@H]1CC(F)C[C@H](CCC)O1
InChIInChI=1S/C11H21FO/c1-3-5-10-7-9(12)8-11(13-10)6-4-2/h9-11H,3-8H2,1-2H3/t9?,10-,11+
InChIKeyGNNIHZODKQNODE-FGWVZKOKSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.47
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)-4-fluoro-2,6-dipropyloxane?
The IUPAC name of (2R,6S)-4-fluoro-2,6-dipropyloxane (CID 14492058) is (2R,6S)-4-fluoro-2,6-dipropyloxane.
What is the SMILES notation for (2R,6S)-4-fluoro-2,6-dipropyloxane?
The canonical SMILES for (2R,6S)-4-fluoro-2,6-dipropyloxane is CCC[C@@H]1CC(F)C[C@H](CCC)O1.
What is the InChIKey of (2R,6S)-4-fluoro-2,6-dipropyloxane?
The InChIKey is GNNIHZODKQNODE-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H21FO/c1-3-5-10-7-9(12)8-11(13-10)6-4-2/h9-11H,3-8H2,1-2H3/t9?,10-,11+.
What are the key properties of (2R,6S)-4-fluoro-2,6-dipropyloxane?
(2R,6S)-4-fluoro-2,6-dipropyloxane has a molecular weight of 188.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-fluoro-2,6-dipropyloxane is sourced from PubChem (CID 14492058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).