(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol

C8H13FO3 — CID 58231555

IUPAC(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
SMILESC[C@H]1C[C@@]2(O)C(F)C[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H13FO3/c1-4-3-8(11)6(9)2-5(10)7(8)12-4/h4-7,10-11H,2-3H2,1H3/t4-,5+,6?,7+,8+/m0/s1
InChIKeyUQKOJFHWUGOSOM-BTBCGKJZSA-N
MW176.19 g/mol
LogP-0.00
Rot. Bonds

About (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol

(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol (PubChem CID 58231555) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol.

Molecular Properties

Compound Name(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
PubChem CID58231555
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
SMILESC[C@H]1C[C@@]2(O)C(F)C[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H13FO3/c1-4-3-8(11)6(9)2-5(10)7(8)12-4/h4-7,10-11H,2-3H2,1H3/t4-,5+,6?,7+,8+/m0/s1
InChIKeyUQKOJFHWUGOSOM-BTBCGKJZSA-N
XLogP-0.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol 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 (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The IUPAC name of (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol (CID 58231555) is (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol.
What is the SMILES notation for (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The canonical SMILES for (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol is C[C@H]1C[C@@]2(O)C(F)C[C@@H](O)[C@H]2O1.
What is the InChIKey of (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The InChIKey is UQKOJFHWUGOSOM-BTBCGKJZSA-N. The full InChI is InChI=1S/C8H13FO3/c1-4-3-8(11)6(9)2-5(10)7(8)12-4/h4-7,10-11H,2-3H2,1H3/t4-,5+,6?,7+,8+/m0/s1.
What are the key properties of (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol has a molecular weight of 176.19 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol is sourced from PubChem (CID 58231555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).