(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C8H10F3NO — CID 134943080

IUPAC(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](C(F)(F)F)[C@@H]2CCCN12
InChIInChI=1S/C8H10F3NO/c9-8(10,11)5-4-7(13)12-3-1-2-6(5)12/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyLDGXZFZOTCSLOT-WDSKDSINSA-N
MW193.17 g/mol
LogP1.56
Rot. Bonds

About (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 134943080) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID134943080
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](C(F)(F)F)[C@@H]2CCCN12
InChIInChI=1S/C8H10F3NO/c9-8(10,11)5-4-7(13)12-3-1-2-6(5)12/h5-6H,1-4H2/t5-,6-/m0/s1
InChIKeyLDGXZFZOTCSLOT-WDSKDSINSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 134943080) is (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C[C@H](C(F)(F)F)[C@@H]2CCCN12.
What is the InChIKey of (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is LDGXZFZOTCSLOT-WDSKDSINSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)5-4-7(13)12-3-1-2-6(5)12/h5-6H,1-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 193.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S)-1-(trifluoromethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 134943080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).