1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol

C11H19F3N2O — CID 79942951

IUPAC1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol
SMILESCC1CN2CCCC2CN1CC(O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8-5-15-4-2-3-9(15)6-16(8)7-10(17)11(12,13)14/h8-10,17H,2-7H2,1H3
InChIKeyHCLLYCNARGJRKO-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.08
Rot. Bonds2

About 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol

1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol (PubChem CID 79942951) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol
PubChem CID79942951
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol
SMILESCC1CN2CCCC2CN1CC(O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8-5-15-4-2-3-9(15)6-16(8)7-10(17)11(12,13)14/h8-10,17H,2-7H2,1H3
InChIKeyHCLLYCNARGJRKO-UHFFFAOYSA-N
XLogP1.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol (CID 79942951) is 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol is CC1CN2CCCC2CN1CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol?
The InChIKey is HCLLYCNARGJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8-5-15-4-2-3-9(15)6-16(8)7-10(17)11(12,13)14/h8-10,17H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol?
1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol has a molecular weight of 252.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-ol is sourced from PubChem (CID 79942951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).