(3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

C11H12FNO2 — CID 154714638

IUPAC(3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESC[C@@H]1[C@H]2OC(c3ccco3)=N[C@H]2C[C@H]1F
InChIInChI=1S/C11H12FNO2/c1-6-7(12)5-8-10(6)15-11(13-8)9-3-2-4-14-9/h2-4,6-8,10H,5H2,1H3/t6-,7+,8-,10+/m0/s1
InChIKeyTYZMYHJNBGHHHF-PYHGXSLLSA-N
MW209.22 g/mol
LogP2.17
Rot. Bonds1

About (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole

(3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (PubChem CID 154714638) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
PubChem CID154714638
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
SMILESC[C@@H]1[C@H]2OC(c3ccco3)=N[C@H]2C[C@H]1F
InChIInChI=1S/C11H12FNO2/c1-6-7(12)5-8-10(6)15-11(13-8)9-3-2-4-14-9/h2-4,6-8,10H,5H2,1H3/t6-,7+,8-,10+/m0/s1
InChIKeyTYZMYHJNBGHHHF-PYHGXSLLSA-N
XLogP2.17
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The IUPAC name of (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole (CID 154714638) is (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole.
What is the SMILES notation for (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The canonical SMILES for (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is C[C@@H]1[C@H]2OC(c3ccco3)=N[C@H]2C[C@H]1F.
What is the InChIKey of (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
The InChIKey is TYZMYHJNBGHHHF-PYHGXSLLSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-6-7(12)5-8-10(6)15-11(13-8)9-3-2-4-14-9/h2-4,6-8,10H,5H2,1H3/t6-,7+,8-,10+/m0/s1.
What are the key properties of (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole?
(3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole has a molecular weight of 209.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6R,6aR)-5-fluoro-2-(furan-2-yl)-6-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole is sourced from PubChem (CID 154714638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).