2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol

C10H17F3N2O — CID 121185704

IUPAC2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
SMILESOCCN1CC2CN(CC(F)(F)F)CC2C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-15-5-8-3-14(1-2-16)4-9(8)6-15/h8-9,16H,1-7H2
InChIKeyDZPBVFHKMZTRPP-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.40
Rot. Bonds3

About 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol

2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol (PubChem CID 121185704) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
PubChem CID121185704
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
SMILESOCCN1CC2CN(CC(F)(F)F)CC2C1
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-15-5-8-3-14(1-2-16)4-9(8)6-15/h8-9,16H,1-7H2
InChIKeyDZPBVFHKMZTRPP-UHFFFAOYSA-N
XLogP0.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol (CID 121185704) is 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol is OCCN1CC2CN(CC(F)(F)F)CC2C1.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
The InChIKey is DZPBVFHKMZTRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-15-5-8-3-14(1-2-16)4-9(8)6-15/h8-9,16H,1-7H2.
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol?
2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol has a molecular weight of 238.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol is sourced from PubChem (CID 121185704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).