(3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C16H23FO5 — CID 18597790

IUPAC(3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H]2OC(C)(CC)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C16H23FO5/c1-5-10-13(18-8-11-9(3)7-12(17)19-11)14-15(20-10)22-16(4,6-2)21-14/h7,10,13-15H,5-6,8H2,1-4H3/t10-,13+,14-,15-,16?/m1/s1
InChIKeyZQIGMMKBDKDBNB-UQNYZGSNSA-N
MW314.35 g/mol
LogP3.29
Rot. Bonds5

About (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597790) has the molecular formula C16H23FO5 and a molecular weight of 314.35 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597790
Molecular FormulaC16H23FO5
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name(3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC[C@H]1O[C@@H]2OC(C)(CC)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C16H23FO5/c1-5-10-13(18-8-11-9(3)7-12(17)19-11)14-15(20-10)22-16(4,6-2)21-14/h7,10,13-15H,5-6,8H2,1-4H3/t10-,13+,14-,15-,16?/m1/s1
InChIKeyZQIGMMKBDKDBNB-UQNYZGSNSA-N
XLogP3.29
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597790) is (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CC[C@H]1O[C@@H]2OC(C)(CC)O[C@@H]2[C@H]1OCc1oc(F)cc1C.
What is the InChIKey of (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is ZQIGMMKBDKDBNB-UQNYZGSNSA-N. The full InChI is InChI=1S/C16H23FO5/c1-5-10-13(18-8-11-9(3)7-12(17)19-11)14-15(20-10)22-16(4,6-2)21-14/h7,10,13-15H,5-6,8H2,1-4H3/t10-,13+,14-,15-,16?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 314.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-2,5-diethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).