(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane

C14H27FO2 — CID 157292206

IUPAC(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane
SMILESCC[C@H]1O[C@@H](C(C)(C)C)[C@@H](F)C1OC(C)(C)C
InChIInChI=1S/C14H27FO2/c1-8-9-11(17-14(5,6)7)10(15)12(16-9)13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11?,12-/m1/s1
InChIKeyBAXZCKUUBDOIRK-AYLPWXGPSA-N
MW246.37 g/mol
LogP3.73
Rot. Bonds2

About (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane

(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane (PubChem CID 157292206) has the molecular formula C14H27FO2 and a molecular weight of 246.37 g/mol. Its IUPAC name is (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane.

Molecular Properties

Compound Name(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane
PubChem CID157292206
Molecular FormulaC14H27FO2
Molecular Weight246.37 g/mol
Exact Mass246.20
IUPAC Name(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane
SMILESCC[C@H]1O[C@@H](C(C)(C)C)[C@@H](F)C1OC(C)(C)C
InChIInChI=1S/C14H27FO2/c1-8-9-11(17-14(5,6)7)10(15)12(16-9)13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11?,12-/m1/s1
InChIKeyBAXZCKUUBDOIRK-AYLPWXGPSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane?
The IUPAC name of (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane (CID 157292206) is (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane.
What is the SMILES notation for (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane?
The canonical SMILES for (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane is CC[C@H]1O[C@@H](C(C)(C)C)[C@@H](F)C1OC(C)(C)C.
What is the InChIKey of (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane?
The InChIKey is BAXZCKUUBDOIRK-AYLPWXGPSA-N. The full InChI is InChI=1S/C14H27FO2/c1-8-9-11(17-14(5,6)7)10(15)12(16-9)13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11?,12-/m1/s1.
What are the key properties of (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane?
(2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane has a molecular weight of 246.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2-tert-butyl-5-ethyl-3-fluoro-4-[(2-methylpropan-2-yl)oxy]oxolane is sourced from PubChem (CID 157292206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).