2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone

C14H18F5N3O2 — CID 58542320

IUPAC2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1)N1CC2(CC2)N(C(=O)C(F)(F)F)C[C@@H]1CF
InChIInChI=1S/C14H18F5N3O2/c15-4-9-6-22(12(24)14(17,18)19)13(1-2-13)7-21(9)11(23)10-3-8(16)5-20-10/h8-10,20H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyACPJZAMQDJYGSK-UTLUCORTSA-N
MW355.31 g/mol
LogP0.79
Rot. Bonds2

About 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone

2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone (PubChem CID 58542320) has the molecular formula C14H18F5N3O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
PubChem CID58542320
Molecular FormulaC14H18F5N3O2
Molecular Weight355.31 g/mol
Exact Mass355.13
IUPAC Name2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1)N1CC2(CC2)N(C(=O)C(F)(F)F)C[C@@H]1CF
InChIInChI=1S/C14H18F5N3O2/c15-4-9-6-22(12(24)14(17,18)19)13(1-2-13)7-21(9)11(23)10-3-8(16)5-20-10/h8-10,20H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyACPJZAMQDJYGSK-UTLUCORTSA-N
XLogP0.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone (CID 58542320) is 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone is O=C([C@@H]1C[C@@H](F)CN1)N1CC2(CC2)N(C(=O)C(F)(F)F)C[C@@H]1CF.
What is the InChIKey of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
The InChIKey is ACPJZAMQDJYGSK-UTLUCORTSA-N. The full InChI is InChI=1S/C14H18F5N3O2/c15-4-9-6-22(12(24)14(17,18)19)13(1-2-13)7-21(9)11(23)10-3-8(16)5-20-10/h8-10,20H,1-7H2/t8-,9+,10+/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone?
2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone has a molecular weight of 355.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(6R)-6-(fluoromethyl)-7-[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octan-4-yl]ethanone is sourced from PubChem (CID 58542320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).