N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide

C8H11F3N2O2 — CID 57008158

IUPACN-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H]1CN[C@H]2CCO[C@H]21)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7(14)13-5-3-12-4-1-2-15-6(4)5/h4-6,12H,1-3H2,(H,13,14)/t4-,5+,6+/m0/s1
InChIKeyHAOHLVTYOYVXBQ-KVQBGUIXSA-N
MW224.18 g/mol
LogP-0.21
Rot. Bonds1

About N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide

N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide (PubChem CID 57008158) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide
PubChem CID57008158
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H]1CN[C@H]2CCO[C@H]21)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7(14)13-5-3-12-4-1-2-15-6(4)5/h4-6,12H,1-3H2,(H,13,14)/t4-,5+,6+/m0/s1
InChIKeyHAOHLVTYOYVXBQ-KVQBGUIXSA-N
XLogP-0.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide (CID 57008158) is N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide is O=C(N[C@@H]1CN[C@H]2CCO[C@H]21)C(F)(F)F.
What is the InChIKey of N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide?
The InChIKey is HAOHLVTYOYVXBQ-KVQBGUIXSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)7(14)13-5-3-12-4-1-2-15-6(4)5/h4-6,12H,1-3H2,(H,13,14)/t4-,5+,6+/m0/s1.
What are the key properties of N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide?
N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide has a molecular weight of 224.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57008158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).