(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine

C11H19FO3 — CID 163562912

IUPAC(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine
SMILESC[C@]1(F)CO[C@@H]2COCCCCCO[C@H]21
InChIInChI=1S/C11H19FO3/c1-11(12)8-15-9-7-13-5-3-2-4-6-14-10(9)11/h9-10H,2-8H2,1H3/t9-,10-,11+/m1/s1
InChIKeyFSTZGFVCGJEAQS-MXWKQRLJSA-N
MW218.27 g/mol
LogP1.70
Rot. Bonds

About (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine

(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine (PubChem CID 163562912) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine.

Molecular Properties

Compound Name(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine
PubChem CID163562912
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Name(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine
SMILESC[C@]1(F)CO[C@@H]2COCCCCCO[C@H]21
InChIInChI=1S/C11H19FO3/c1-11(12)8-15-9-7-13-5-3-2-4-6-14-10(9)11/h9-10H,2-8H2,1H3/t9-,10-,11+/m1/s1
InChIKeyFSTZGFVCGJEAQS-MXWKQRLJSA-N
XLogP1.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine with MolForge

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Related Compounds

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CID 173646228
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(2S,4S)-4-fluoro-2-(methoxymethyl)-4-methyloxolane
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CID 176588650
CID 176588650
(2R,3R,4S)-4-fluoro-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
CID 178960251
CID 161362597
CID 161362597
CID 161362598
CID 161362598
2,2-Bis(propan-2-yloxymethyl)oxolane
CID 141321530
(2R,4R)-4-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
CID 157647284
(2R,3R)-4-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxolane
CID 159866983

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine?
The IUPAC name of (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine (CID 163562912) is (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine.
What is the SMILES notation for (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine?
The canonical SMILES for (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine is C[C@]1(F)CO[C@@H]2COCCCCCO[C@H]21.
What is the InChIKey of (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine?
The InChIKey is FSTZGFVCGJEAQS-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H19FO3/c1-11(12)8-15-9-7-13-5-3-2-4-6-14-10(9)11/h9-10H,2-8H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine?
(3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine has a molecular weight of 218.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,11aR)-3-fluoro-3-methyl-3a,5,6,7,8,9,11,11a-octahydro-2H-furo[3,2-b][1,5]dioxecine is sourced from PubChem (CID 163562912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).