2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate

C15H23FO5 — CID 72548182

IUPAC2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate
SMILESCC1(C)O[C@@H]2[C@H](O1)C(CCOC(=O)C(C)(C)C)=C(F)[C@@H]2O
InChIInChI=1S/C15H23FO5/c1-14(2,3)13(18)19-7-6-8-9(16)10(17)12-11(8)20-15(4,5)21-12/h10-12,17H,6-7H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeyJNEWTOZBBWITLA-TUAOUCFPSA-N
MW302.34 g/mol
LogP2.08
Rot. Bonds3

About 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate

2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 72548182) has the molecular formula C15H23FO5 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate
PubChem CID72548182
Molecular FormulaC15H23FO5
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate
SMILESCC1(C)O[C@@H]2[C@H](O1)C(CCOC(=O)C(C)(C)C)=C(F)[C@@H]2O
InChIInChI=1S/C15H23FO5/c1-14(2,3)13(18)19-7-6-8-9(16)10(17)12-11(8)20-15(4,5)21-12/h10-12,17H,6-7H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeyJNEWTOZBBWITLA-TUAOUCFPSA-N
XLogP2.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate (CID 72548182) is 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate is CC1(C)O[C@@H]2[C@H](O1)C(CCOC(=O)C(C)(C)C)=C(F)[C@@H]2O.
What is the InChIKey of 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is JNEWTOZBBWITLA-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H23FO5/c1-14(2,3)13(18)19-7-6-8-9(16)10(17)12-11(8)20-15(4,5)21-12/h10-12,17H,6-7H2,1-5H3/t10-,11+,12-/m0/s1.
What are the key properties of 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate?
2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 302.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6R,6aS)-5-fluoro-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 72548182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).