1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one

C10H16FNO2 — CID 131688542

IUPAC1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one
SMILESC[C@H]1C[C@@H]2CN(C(=O)CCF)C[C@@H]2O1
InChIInChI=1S/C10H16FNO2/c1-7-4-8-5-12(6-9(8)14-7)10(13)2-3-11/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyFEWSSCAEFAGWKX-YIZRAAEISA-N
MW201.24 g/mol
LogP0.98
Rot. Bonds2

About 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one

1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one (PubChem CID 131688542) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one.

Molecular Properties

Compound Name1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one
PubChem CID131688542
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one
SMILESC[C@H]1C[C@@H]2CN(C(=O)CCF)C[C@@H]2O1
InChIInChI=1S/C10H16FNO2/c1-7-4-8-5-12(6-9(8)14-7)10(13)2-3-11/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeyFEWSSCAEFAGWKX-YIZRAAEISA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one?
The IUPAC name of 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one (CID 131688542) is 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one.
What is the SMILES notation for 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one?
The canonical SMILES for 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one is C[C@H]1C[C@@H]2CN(C(=O)CCF)C[C@@H]2O1.
What is the InChIKey of 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one?
The InChIKey is FEWSSCAEFAGWKX-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16FNO2/c1-7-4-8-5-12(6-9(8)14-7)10(13)2-3-11/h7-9H,2-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one?
1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one has a molecular weight of 201.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-fluoropropan-1-one is sourced from PubChem (CID 131688542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).