6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

C15H23FO3 — CID 54386709

IUPAC6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCCCC[C@@H](F)CCC(=O)C12CCCC1CC(=O)O2
InChIInChI=1S/C15H23FO3/c1-2-3-6-12(16)7-8-13(17)15-9-4-5-11(15)10-14(18)19-15/h11-12H,2-10H2,1H3/t11?,12-,15?/m1/s1
InChIKeyVDTBXGOOOLTBPG-MQYJIDSJSA-N
MW270.34 g/mol
LogP3.35
Rot. Bonds7

About 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one

6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 54386709) has the molecular formula C15H23FO3 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID54386709
Molecular FormulaC15H23FO3
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCCCC[C@@H](F)CCC(=O)C12CCCC1CC(=O)O2
InChIInChI=1S/C15H23FO3/c1-2-3-6-12(16)7-8-13(17)15-9-4-5-11(15)10-14(18)19-15/h11-12H,2-10H2,1H3/t11?,12-,15?/m1/s1
InChIKeyVDTBXGOOOLTBPG-MQYJIDSJSA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 54386709) is 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is CCCC[C@@H](F)CCC(=O)C12CCCC1CC(=O)O2.
What is the InChIKey of 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is VDTBXGOOOLTBPG-MQYJIDSJSA-N. The full InChI is InChI=1S/C15H23FO3/c1-2-3-6-12(16)7-8-13(17)15-9-4-5-11(15)10-14(18)19-15/h11-12H,2-10H2,1H3/t11?,12-,15?/m1/s1.
What are the key properties of 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one?
6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 270.34 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-[(4R)-4-fluorooctanoyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 54386709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).