[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol

C10H17F3N2O — CID 165405780

IUPAC[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
SMILESOC[C@H]1CC[C@@H]2CN(CC(F)(F)F)CCN21
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-14-3-4-15-8(5-14)1-2-9(15)6-16/h8-9,16H,1-7H2/t8-,9-/m1/s1
InChIKeyKMFOHKOLOTXKOR-RKDXNWHRSA-N
MW238.25 g/mol
LogP0.69
Rot. Bonds2

About [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol

[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol (PubChem CID 165405780) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol.

Molecular Properties

Compound Name[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
PubChem CID165405780
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
SMILESOC[C@H]1CC[C@@H]2CN(CC(F)(F)F)CCN21
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-14-3-4-15-8(5-14)1-2-9(15)6-16/h8-9,16H,1-7H2/t8-,9-/m1/s1
InChIKeyKMFOHKOLOTXKOR-RKDXNWHRSA-N
XLogP0.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
The IUPAC name of [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol (CID 165405780) is [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol.
What is the SMILES notation for [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
The canonical SMILES for [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol is OC[C@H]1CC[C@@H]2CN(CC(F)(F)F)CCN21.
What is the InChIKey of [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
The InChIKey is KMFOHKOLOTXKOR-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-14-3-4-15-8(5-14)1-2-9(15)6-16/h8-9,16H,1-7H2/t8-,9-/m1/s1.
What are the key properties of [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol?
[(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol has a molecular weight of 238.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,8aR)-2-(2,2,2-trifluoroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol is sourced from PubChem (CID 165405780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).