(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C15H20F2O5 — CID 18597744

IUPAC(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(CF)O[C@@H]2[C@H]1OCc1ccoc1F
InChIInChI=1S/C15H20F2O5/c1-3-4-10-11(19-7-9-5-6-18-13(9)17)12-14(20-10)22-15(2,8-16)21-12/h5-6,10-12,14H,3-4,7-8H2,1-2H3/t10-,11+,12-,14-,15?/m1/s1
InChIKeyQXMKAEWZTDEANH-HYGHHBCGSA-N
MW318.32 g/mol
LogP2.93
Rot. Bonds6

About (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597744) has the molecular formula C15H20F2O5 and a molecular weight of 318.32 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597744
Molecular FormulaC15H20F2O5
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Name(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(CF)O[C@@H]2[C@H]1OCc1ccoc1F
InChIInChI=1S/C15H20F2O5/c1-3-4-10-11(19-7-9-5-6-18-13(9)17)12-14(20-10)22-15(2,8-16)21-12/h5-6,10-12,14H,3-4,7-8H2,1-2H3/t10-,11+,12-,14-,15?/m1/s1
InChIKeyQXMKAEWZTDEANH-HYGHHBCGSA-N
XLogP2.93
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-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)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597744) is (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCC[C@H]1O[C@@H]2OC(C)(CF)O[C@@H]2[C@H]1OCc1ccoc1F.
What is the InChIKey of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is QXMKAEWZTDEANH-HYGHHBCGSA-N. The full InChI is InChI=1S/C15H20F2O5/c1-3-4-10-11(19-7-9-5-6-18-13(9)17)12-14(20-10)22-15(2,8-16)21-12/h5-6,10-12,14H,3-4,7-8H2,1-2H3/t10-,11+,12-,14-,15?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 318.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-6-[(2-fluorofuran-3-yl)methoxy]-2-(fluoromethyl)-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).