3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one

C10H15F3N2O — CID 43595454

IUPAC3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one
SMILESCC1CC2CNCC2N1C(=O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-6-2-7-4-14-5-8(7)15(6)9(16)3-10(11,12)13/h6-8,14H,2-5H2,1H3
InChIKeyUUQLPVFSZLWWKY-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.15
Rot. Bonds1

About 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one

3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one (PubChem CID 43595454) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one
PubChem CID43595454
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one
SMILESCC1CC2CNCC2N1C(=O)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-6-2-7-4-14-5-8(7)15(6)9(16)3-10(11,12)13/h6-8,14H,2-5H2,1H3
InChIKeyUUQLPVFSZLWWKY-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one (CID 43595454) is 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one is CC1CC2CNCC2N1C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one?
The InChIKey is UUQLPVFSZLWWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-6-2-7-4-14-5-8(7)15(6)9(16)3-10(11,12)13/h6-8,14H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one?
3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one has a molecular weight of 236.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)propan-1-one is sourced from PubChem (CID 43595454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).