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

C16H23FO6 — CID 18597753

IUPAC(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-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]1OCc1occc1OC
InChIInChI=1S/C16H23FO6/c1-4-5-11-13(20-8-12-10(18-3)6-7-19-12)14-15(21-11)23-16(2,9-17)22-14/h6-7,11,13-15H,4-5,8-9H2,1-3H3/t11-,13+,14-,15-,16?/m1/s1
InChIKeyIQEPGUXCDPEEFB-LIADDWGISA-N
MW330.35 g/mol
LogP2.80
Rot. Bonds7

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

(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597753) has the molecular formula C16H23FO6 and a molecular weight of 330.35 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597753
Molecular FormulaC16H23FO6
Molecular Weight330.35 g/mol
Exact Mass330.15
IUPAC Name(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-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]1OCc1occc1OC
InChIInChI=1S/C16H23FO6/c1-4-5-11-13(20-8-12-10(18-3)6-7-19-12)14-15(21-11)23-16(2,9-17)22-14/h6-7,11,13-15H,4-5,8-9H2,1-3H3/t11-,13+,14-,15-,16?/m1/s1
InChIKeyIQEPGUXCDPEEFB-LIADDWGISA-N
XLogP2.80
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597753) is (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-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)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-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]1OCc1occc1OC.
What is the InChIKey of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is IQEPGUXCDPEEFB-LIADDWGISA-N. The full InChI is InChI=1S/C16H23FO6/c1-4-5-11-13(20-8-12-10(18-3)6-7-19-12)14-15(21-11)23-16(2,9-17)22-14/h6-7,11,13-15H,4-5,8-9H2,1-3H3/t11-,13+,14-,15-,16?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 330.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-2-(fluoromethyl)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).