(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane

C14H19FO2 — CID 122695335

IUPAC(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
SMILESCC[C@H]1O[C@@H](F)C(C)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO2/c1-3-12-13(10(2)14(15)17-12)16-9-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10?,12-,13-,14-/m1/s1
InChIKeyLLBLAZGDYFOKOJ-FYFXECOGSA-N
MW238.30 g/mol
LogP3.31
Rot. Bonds4

About (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane

(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane (PubChem CID 122695335) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane.

Molecular Properties

Compound Name(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
PubChem CID122695335
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
SMILESCC[C@H]1O[C@@H](F)C(C)[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO2/c1-3-12-13(10(2)14(15)17-12)16-9-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10?,12-,13-,14-/m1/s1
InChIKeyLLBLAZGDYFOKOJ-FYFXECOGSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylprop-2-enyl)-4,5-bis(phenylmethoxy)oxane
CID 118175464
(2S,4R,5R)-2,4-diethyl-5-phenylmethoxy-1,3-dioxane
CID 70592950

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane?
The IUPAC name of (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane (CID 122695335) is (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane.
What is the SMILES notation for (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane?
The canonical SMILES for (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane is CC[C@H]1O[C@@H](F)C(C)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane?
The InChIKey is LLBLAZGDYFOKOJ-FYFXECOGSA-N. The full InChI is InChI=1S/C14H19FO2/c1-3-12-13(10(2)14(15)17-12)16-9-11-7-5-4-6-8-11/h4-8,10,12-14H,3,9H2,1-2H3/t10?,12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane?
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane has a molecular weight of 238.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane is sourced from PubChem (CID 122695335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).