(3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C7H11FO3 — CID 90140712

IUPAC(3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2F
InChIInChI=1S/C7H11FO3/c1-9-5-3-11-6-4(8)2-10-7(5)6/h4-7H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKeyIYXDYHHWHUJAAI-BDVNFPICSA-N
MW162.16 g/mol
LogP0.14
Rot. Bonds1

About (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 90140712) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID90140712
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2F
InChIInChI=1S/C7H11FO3/c1-9-5-3-11-6-4(8)2-10-7(5)6/h4-7H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
InChIKeyIYXDYHHWHUJAAI-BDVNFPICSA-N
XLogP0.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 90140712) is (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2F.
What is the InChIKey of (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is IYXDYHHWHUJAAI-BDVNFPICSA-N. The full InChI is InChI=1S/C7H11FO3/c1-9-5-3-11-6-4(8)2-10-7(5)6/h4-7H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1.
What are the key properties of (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 162.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aS)-6-fluoro-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 90140712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).