(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C15H19FO4 — CID 22825503

IUPAC(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H]2OC(C)O[C@@H]2[C@H]1OCc1ccccc1F
InChIInChI=1S/C15H19FO4/c1-3-12-13(14-15(20-12)19-9(2)18-14)17-8-10-6-4-5-7-11(10)16/h4-7,9,12-15H,3,8H2,1-2H3/t9?,12-,13+,14-,15+/m1/s1
InChIKeyVYNUQMSIYFJMOK-WEFQOICQSA-N
MW282.31 g/mol
LogP2.61
Rot. Bonds4

About (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 22825503) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID22825503
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H]2OC(C)O[C@@H]2[C@H]1OCc1ccccc1F
InChIInChI=1S/C15H19FO4/c1-3-12-13(14-15(20-12)19-9(2)18-14)17-8-10-6-4-5-7-11(10)16/h4-7,9,12-15H,3,8H2,1-2H3/t9?,12-,13+,14-,15+/m1/s1
InChIKeyVYNUQMSIYFJMOK-WEFQOICQSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Related Compounds

(4aS,6R,7S,7aR)-6-ethyl-7-[(2-fluorophenyl)methoxy]-2,3,4a,6,7,7a-hexahydrofuro[2,3-b][1,4]dioxine
CID 54459390
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(2-methylphenyl)methoxy]oxolane
CID 15389967
(3aR,5R,6S,6aR)-2-ethyl-6-[(2-fluorophenyl)methoxy]-2,5-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 22825461
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane
CID 15389968
(3aR,5R,6S,6aR)-2-methyl-5-(2-methylpropyl)-6-[(2-methylthiophen-3-yl)methoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597845
(3aR,5R,6S,6aR)-6-[(2-fluorophenyl)methoxy]-5-prop-2-enylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 54432215
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
(2R,3S,3aS,9bR)-2-ethyl-9-methoxy-5-methyl-3-[(2-methylphenyl)methoxy]-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene
CID 56625680
(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597849
2-[[(2R,3aR,5R,6S,7S,7aR)-2-methyl-6,7-bis(pyridin-2-ylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxymethyl]pyridine
CID 139179480
(2S,4R,5R)-5-[(2-fluorophenyl)methoxy]-4-methyl-2-propyl-1,3-dioxane
CID 70593028
(6S,7S)-7-[(2S,4R,5S)-3,6-dimethyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2,5-dimethyl-6-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 90788540

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 22825503) is (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CC[C@H]1O[C@@H]2OC(C)O[C@@H]2[C@H]1OCc1ccccc1F.
What is the InChIKey of (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is VYNUQMSIYFJMOK-WEFQOICQSA-N. The full InChI is InChI=1S/C15H19FO4/c1-3-12-13(14-15(20-12)19-9(2)18-14)17-8-10-6-4-5-7-11(10)16/h4-7,9,12-15H,3,8H2,1-2H3/t9?,12-,13+,14-,15+/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 282.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-ethyl-6-[(2-fluorophenyl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 22825503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).