(2R,5R)-5-fluoro-2-hexyl-5-methyloxane

C12H23FO — CID 101241691

IUPAC(2R,5R)-5-fluoro-2-hexyl-5-methyloxane
SMILESCCCCCC[C@@H]1CC[C@@](C)(F)CO1
InChIInChI=1S/C12H23FO/c1-3-4-5-6-7-11-8-9-12(2,13)10-14-11/h11H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyGZGQPZOGRFHWDP-VXGBXAGGSA-N
MW202.31 g/mol
LogP3.86
Rot. Bonds5

About (2R,5R)-5-fluoro-2-hexyl-5-methyloxane

(2R,5R)-5-fluoro-2-hexyl-5-methyloxane (PubChem CID 101241691) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is (2R,5R)-5-fluoro-2-hexyl-5-methyloxane.

Molecular Properties

Compound Name(2R,5R)-5-fluoro-2-hexyl-5-methyloxane
PubChem CID101241691
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name(2R,5R)-5-fluoro-2-hexyl-5-methyloxane
SMILESCCCCCC[C@@H]1CC[C@@](C)(F)CO1
InChIInChI=1S/C12H23FO/c1-3-4-5-6-7-11-8-9-12(2,13)10-14-11/h11H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyGZGQPZOGRFHWDP-VXGBXAGGSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.86
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

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CID 114530
Thromboxane
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CID 146168810
2-Tert-butyloxane
CID 21482440
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
5-Fluoro-2-pentyloxane
CID 11275319
(2S,4R)-2-cyclohexyl-4-fluorooxane
CID 11745349
(2R,6S)-4-fluoro-2,6-dipropyloxane
CID 14492058
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
CID 22102069
(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 (2R,5R)-5-fluoro-2-hexyl-5-methyloxane?
The IUPAC name of (2R,5R)-5-fluoro-2-hexyl-5-methyloxane (CID 101241691) is (2R,5R)-5-fluoro-2-hexyl-5-methyloxane.
What is the SMILES notation for (2R,5R)-5-fluoro-2-hexyl-5-methyloxane?
The canonical SMILES for (2R,5R)-5-fluoro-2-hexyl-5-methyloxane is CCCCCC[C@@H]1CC[C@@](C)(F)CO1.
What is the InChIKey of (2R,5R)-5-fluoro-2-hexyl-5-methyloxane?
The InChIKey is GZGQPZOGRFHWDP-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23FO/c1-3-4-5-6-7-11-8-9-12(2,13)10-14-11/h11H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-5-fluoro-2-hexyl-5-methyloxane?
(2R,5R)-5-fluoro-2-hexyl-5-methyloxane has a molecular weight of 202.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-fluoro-2-hexyl-5-methyloxane is sourced from PubChem (CID 101241691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).