1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone

C15H18FNO2 — CID 97369185

IUPAC1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone
SMILESC[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O1
InChIInChI=1S/C15H18FNO2/c1-10-6-12-8-17(9-14(12)19-10)15(18)7-11-2-4-13(16)5-3-11/h2-5,10,12,14H,6-9H2,1H3/t10-,12+,14-/m1/s1
InChIKeyROMGXFHLFXMONF-SCDSUCTJSA-N
MW263.31 g/mol
LogP2.00
Rot. Bonds2

About 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone

1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 97369185) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone
PubChem CID97369185
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone
SMILESC[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O1
InChIInChI=1S/C15H18FNO2/c1-10-6-12-8-17(9-14(12)19-10)15(18)7-11-2-4-13(16)5-3-11/h2-5,10,12,14H,6-9H2,1H3/t10-,12+,14-/m1/s1
InChIKeyROMGXFHLFXMONF-SCDSUCTJSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone (CID 97369185) is 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone is C[C@@H]1C[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]2O1.
What is the InChIKey of 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is ROMGXFHLFXMONF-SCDSUCTJSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10-6-12-8-17(9-14(12)19-10)15(18)7-11-2-4-13(16)5-3-11/h2-5,10,12,14H,6-9H2,1H3/t10-,12+,14-/m1/s1.
What are the key properties of 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone?
1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 263.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 97369185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).