(2R,4R)-4-fluoro-2-pentyloxane

C10H19FO — CID 132568216

IUPAC(2R,4R)-4-fluoro-2-pentyloxane
SMILESCCCCC[C@@H]1C[C@H](F)CCO1
InChIInChI=1S/C10H19FO/c1-2-3-4-5-10-8-9(11)6-7-12-10/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyITBHQASPRDCVPO-NXEZZACHSA-N
MW174.26 g/mol
LogP3.08
Rot. Bonds4

About (2R,4R)-4-fluoro-2-pentyloxane

(2R,4R)-4-fluoro-2-pentyloxane (PubChem CID 132568216) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-2-pentyloxane.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-2-pentyloxane
PubChem CID132568216
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name(2R,4R)-4-fluoro-2-pentyloxane
SMILESCCCCC[C@@H]1C[C@H](F)CCO1
InChIInChI=1S/C10H19FO/c1-2-3-4-5-10-8-9(11)6-7-12-10/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyITBHQASPRDCVPO-NXEZZACHSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 53.08
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 (2R,4R)-4-fluoro-2-pentyloxane?
The IUPAC name of (2R,4R)-4-fluoro-2-pentyloxane (CID 132568216) is (2R,4R)-4-fluoro-2-pentyloxane.
What is the SMILES notation for (2R,4R)-4-fluoro-2-pentyloxane?
The canonical SMILES for (2R,4R)-4-fluoro-2-pentyloxane is CCCCC[C@@H]1C[C@H](F)CCO1.
What is the InChIKey of (2R,4R)-4-fluoro-2-pentyloxane?
The InChIKey is ITBHQASPRDCVPO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FO/c1-2-3-4-5-10-8-9(11)6-7-12-10/h9-10H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-2-pentyloxane?
(2R,4R)-4-fluoro-2-pentyloxane has a molecular weight of 174.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-2-pentyloxane is sourced from PubChem (CID 132568216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).