(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C15H26F2O3 — CID 71248644

IUPAC(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)(F)C(O)CC[C@H]1CCC2OC(O)C[C@@H]21
InChIInChI=1S/C15H26F2O3/c1-2-3-8-15(16,17)13(18)7-5-10-4-6-12-11(10)9-14(19)20-12/h10-14,18-19H,2-9H2,1H3/t10-,11-,12?,13?,14?/m1/s1
InChIKeyOVDMMXPGHCJXLD-UJPKRVMBSA-N
MW292.37 g/mol
LogP3.09
Rot. Bonds7

About (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 71248644) has the molecular formula C15H26F2O3 and a molecular weight of 292.37 g/mol. Its IUPAC name is (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID71248644
Molecular FormulaC15H26F2O3
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)(F)C(O)CC[C@H]1CCC2OC(O)C[C@@H]21
InChIInChI=1S/C15H26F2O3/c1-2-3-8-15(16,17)13(18)7-5-10-4-6-12-11(10)9-14(19)20-12/h10-14,18-19H,2-9H2,1H3/t10-,11-,12?,13?,14?/m1/s1
InChIKeyOVDMMXPGHCJXLD-UJPKRVMBSA-N
XLogP3.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 71248644) is (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCC(F)(F)C(O)CC[C@H]1CCC2OC(O)C[C@@H]21.
What is the InChIKey of (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is OVDMMXPGHCJXLD-UJPKRVMBSA-N. The full InChI is InChI=1S/C15H26F2O3/c1-2-3-8-15(16,17)13(18)7-5-10-4-6-12-11(10)9-14(19)20-12/h10-14,18-19H,2-9H2,1H3/t10-,11-,12?,13?,14?/m1/s1.
What are the key properties of (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 292.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 71248644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).