(2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol

C8H11FO4 — CID 89286547

IUPAC(2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol
SMILESCO[C@@H]1C[C@@]2(O)C=C(F)[C@@H](O)C2O1
InChIInChI=1S/C8H11FO4/c1-12-5-3-8(11)2-4(9)6(10)7(8)13-5/h2,5-7,10-11H,3H2,1H3/t5-,6+,7?,8-/m0/s1
InChIKeyPKCIKIYRDQBSFZ-WHBCSPCOSA-N
MW190.17 g/mol
LogP-0.29
Rot. Bonds1

About (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol

(2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol (PubChem CID 89286547) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol.

Molecular Properties

Compound Name(2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol
PubChem CID89286547
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name(2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol
SMILESCO[C@@H]1C[C@@]2(O)C=C(F)[C@@H](O)C2O1
InChIInChI=1S/C8H11FO4/c1-12-5-3-8(11)2-4(9)6(10)7(8)13-5/h2,5-7,10-11H,3H2,1H3/t5-,6+,7?,8-/m0/s1
InChIKeyPKCIKIYRDQBSFZ-WHBCSPCOSA-N
XLogP-0.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
The IUPAC name of (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol (CID 89286547) is (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol.
What is the SMILES notation for (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
The canonical SMILES for (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol is CO[C@@H]1C[C@@]2(O)C=C(F)[C@@H](O)C2O1.
What is the InChIKey of (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
The InChIKey is PKCIKIYRDQBSFZ-WHBCSPCOSA-N. The full InChI is InChI=1S/C8H11FO4/c1-12-5-3-8(11)2-4(9)6(10)7(8)13-5/h2,5-7,10-11H,3H2,1H3/t5-,6+,7?,8-/m0/s1.
What are the key properties of (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol?
(2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol has a molecular weight of 190.17 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6S)-5-fluoro-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-3a,6-diol is sourced from PubChem (CID 89286547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).