2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol

C20H34F2O5 — CID 151150447

IUPAC2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)(F)C(O)CCC1(O)CC2CCCC2(OC2CCCCO2)O1
InChIInChI=1S/C20H34F2O5/c1-2-3-10-19(21,22)16(23)9-12-18(24)14-15-7-6-11-20(15,27-18)26-17-8-4-5-13-25-17/h15-17,23-24H,2-14H2,1H3
InChIKeyMYCPCZPYXWUVAG-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.10
Rot. Bonds9

About 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol

2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol (PubChem CID 151150447) has the molecular formula C20H34F2O5 and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol
PubChem CID151150447
Molecular FormulaC20H34F2O5
Molecular Weight392.48 g/mol
Exact Mass392.24
IUPAC Name2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)(F)C(O)CCC1(O)CC2CCCC2(OC2CCCCO2)O1
InChIInChI=1S/C20H34F2O5/c1-2-3-10-19(21,22)16(23)9-12-18(24)14-15-7-6-11-20(15,27-18)26-17-8-4-5-13-25-17/h15-17,23-24H,2-14H2,1H3
InChIKeyMYCPCZPYXWUVAG-UHFFFAOYSA-N
XLogP4.10
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol?
The IUPAC name of 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol (CID 151150447) is 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol is CCCCC(F)(F)C(O)CCC1(O)CC2CCCC2(OC2CCCCO2)O1.
What is the InChIKey of 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol?
The InChIKey is MYCPCZPYXWUVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F2O5/c1-2-3-10-19(21,22)16(23)9-12-18(24)14-15-7-6-11-20(15,27-18)26-17-8-4-5-13-25-17/h15-17,23-24H,2-14H2,1H3.
What are the key properties of 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol?
2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol has a molecular weight of 392.48 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 151150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).