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

C17H24F2O5 — CID 18597758

IUPAC(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCc1cc(F)oc1CO[C@@H]1[C@H]2OC(C)(CF)O[C@H]2O[C@@H]1CC(C)C
InChIInChI=1S/C17H24F2O5/c1-9(2)5-11-14(20-7-12-10(3)6-13(19)21-12)15-16(22-11)24-17(4,8-18)23-15/h6,9,11,14-16H,5,7-8H2,1-4H3/t11-,14+,15-,16-,17?/m1/s1
InChIKeyWWUXRORLPADZHZ-NOLFWGJFSA-N
MW346.37 g/mol
LogP3.48
Rot. Bonds6

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

(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597758) has the molecular formula C17H24F2O5 and a molecular weight of 346.37 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597758
Molecular FormulaC17H24F2O5
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCc1cc(F)oc1CO[C@@H]1[C@H]2OC(C)(CF)O[C@H]2O[C@@H]1CC(C)C
InChIInChI=1S/C17H24F2O5/c1-9(2)5-11-14(20-7-12-10(3)6-13(19)21-12)15-16(22-11)24-17(4,8-18)23-15/h6,9,11,14-16H,5,7-8H2,1-4H3/t11-,14+,15-,16-,17?/m1/s1
InChIKeyWWUXRORLPADZHZ-NOLFWGJFSA-N
XLogP3.48
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-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-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597758) is (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is Cc1cc(F)oc1CO[C@@H]1[C@H]2OC(C)(CF)O[C@H]2O[C@@H]1CC(C)C.
What is the InChIKey of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is WWUXRORLPADZHZ-NOLFWGJFSA-N. The full InChI is InChI=1S/C17H24F2O5/c1-9(2)5-11-14(20-7-12-10(3)6-13(19)21-12)15-16(22-11)24-17(4,8-18)23-15/h6,9,11,14-16H,5,7-8H2,1-4H3/t11-,14+,15-,16-,17?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 346.37 g/mol, XLogP of 3.48, 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)-2-(fluoromethyl)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).