(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane

C14H19FO3 — CID 134985821

IUPAC(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane
SMILESCO[C@H]1O[C@@H](C(C)F)C[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO3/c1-10(15)12-8-13(14(16-2)18-12)17-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10?,12-,13-,14+/m1/s1
InChIKeyMEHHGESGHDFDOE-KNEGCTHCSA-N
MW254.30 g/mol
LogP2.69
Rot. Bonds5

About (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane

(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane (PubChem CID 134985821) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane.

Molecular Properties

Compound Name(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane
PubChem CID134985821
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane
SMILESCO[C@H]1O[C@@H](C(C)F)C[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO3/c1-10(15)12-8-13(14(16-2)18-12)17-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10?,12-,13-,14+/m1/s1
InChIKeyMEHHGESGHDFDOE-KNEGCTHCSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62375
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1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Phenyl-1,3-dioxane
CID 92840
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane?
The IUPAC name of (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane (CID 134985821) is (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane.
What is the SMILES notation for (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane?
The canonical SMILES for (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane is CO[C@H]1O[C@@H](C(C)F)C[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane?
The InChIKey is MEHHGESGHDFDOE-KNEGCTHCSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10(15)12-8-13(14(16-2)18-12)17-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10?,12-,13-,14+/m1/s1.
What are the key properties of (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane?
(2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane has a molecular weight of 254.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-5-(1-fluoroethyl)-2-methoxy-3-phenylmethoxyoxolane is sourced from PubChem (CID 134985821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).