(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

C13H23FO3 — CID 139315603

IUPAC(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCC(C)C1(F)CO[C@@H]2[C@H](OC(C)(C)C)CO[C@@H]21
InChIInChI=1S/C13H23FO3/c1-8(2)13(14)7-16-10-9(6-15-11(10)13)17-12(3,4)5/h8-11H,6-7H2,1-5H3/t9-,10-,11+,13?/m1/s1
InChIKeyPAASDRXCTABETQ-WHKIEGFNSA-N
MW246.32 g/mol
LogP2.33
Rot. Bonds2

About (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan

(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 139315603) has the molecular formula C13H23FO3 and a molecular weight of 246.32 g/mol. Its IUPAC name is (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
PubChem CID139315603
Molecular FormulaC13H23FO3
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
SMILESCC(C)C1(F)CO[C@@H]2[C@H](OC(C)(C)C)CO[C@@H]21
InChIInChI=1S/C13H23FO3/c1-8(2)13(14)7-16-10-9(6-15-11(10)13)17-12(3,4)5/h8-11H,6-7H2,1-5H3/t9-,10-,11+,13?/m1/s1
InChIKeyPAASDRXCTABETQ-WHKIEGFNSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan (CID 139315603) is (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is CC(C)C1(F)CO[C@@H]2[C@H](OC(C)(C)C)CO[C@@H]21.
What is the InChIKey of (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is PAASDRXCTABETQ-WHKIEGFNSA-N. The full InChI is InChI=1S/C13H23FO3/c1-8(2)13(14)7-16-10-9(6-15-11(10)13)17-12(3,4)5/h8-11H,6-7H2,1-5H3/t9-,10-,11+,13?/m1/s1.
What are the key properties of (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan?
(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 246.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 139315603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).