(2S,4S)-4-fluoro-2-hexyloxane

C11H21FO — CID 154714295

IUPAC(2S,4S)-4-fluoro-2-hexyloxane
SMILESCCCCCC[C@H]1C[C@@H](F)CCO1
InChIInChI=1S/C11H21FO/c1-2-3-4-5-6-11-9-10(12)7-8-13-11/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyNLUIFPMBYUJTAQ-QWRGUYRKSA-N
MW188.29 g/mol
LogP3.47
Rot. Bonds5

About (2S,4S)-4-fluoro-2-hexyloxane

(2S,4S)-4-fluoro-2-hexyloxane (PubChem CID 154714295) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-hexyloxane.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-hexyloxane
PubChem CID154714295
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(2S,4S)-4-fluoro-2-hexyloxane
SMILESCCCCCC[C@H]1C[C@@H](F)CCO1
InChIInChI=1S/C11H21FO/c1-2-3-4-5-6-11-9-10(12)7-8-13-11/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyNLUIFPMBYUJTAQ-QWRGUYRKSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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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 (2S,4S)-4-fluoro-2-hexyloxane?
The IUPAC name of (2S,4S)-4-fluoro-2-hexyloxane (CID 154714295) is (2S,4S)-4-fluoro-2-hexyloxane.
What is the SMILES notation for (2S,4S)-4-fluoro-2-hexyloxane?
The canonical SMILES for (2S,4S)-4-fluoro-2-hexyloxane is CCCCCC[C@H]1C[C@@H](F)CCO1.
What is the InChIKey of (2S,4S)-4-fluoro-2-hexyloxane?
The InChIKey is NLUIFPMBYUJTAQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21FO/c1-2-3-4-5-6-11-9-10(12)7-8-13-11/h10-11H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-hexyloxane?
(2S,4S)-4-fluoro-2-hexyloxane has a molecular weight of 188.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-hexyloxane is sourced from PubChem (CID 154714295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).