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

C10H15FO3 — CID 59753783

IUPAC(3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCCC1=C(F)[C@H](O)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C10H15FO3/c1-4-5-6(11)7(12)9-8(5)13-10(2,3)14-9/h7-9,12H,4H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyABVFZLFADFEBQS-YIZRAAEISA-N
MW202.22 g/mol
LogP1.51
Rot. Bonds1

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

(3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (PubChem CID 59753783) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
PubChem CID59753783
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name(3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCCC1=C(F)[C@H](O)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C10H15FO3/c1-4-5-6(11)7(12)9-8(5)13-10(2,3)14-9/h7-9,12H,4H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyABVFZLFADFEBQS-YIZRAAEISA-N
XLogP1.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (CID 59753783) is (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is CCC1=C(F)[C@H](O)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The InChIKey is ABVFZLFADFEBQS-YIZRAAEISA-N. The full InChI is InChI=1S/C10H15FO3/c1-4-5-6(11)7(12)9-8(5)13-10(2,3)14-9/h7-9,12H,4H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
(3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol has a molecular weight of 202.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aS)-4-ethyl-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is sourced from PubChem (CID 59753783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).