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

C11H19F3N2O — CID 138387046

IUPAC[5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESOCC12CNCC1CN(CCCC(F)(F)F)C2
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)2-1-3-16-5-9-4-15-6-10(9,7-16)8-17/h9,15,17H,1-8H2
InChIKeyNNDSKANZAZUTMO-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.84
Rot. Bonds4

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

[5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138387046) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID138387046
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name[5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESOCC12CNCC1CN(CCCC(F)(F)F)C2
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)2-1-3-16-5-9-4-15-6-10(9,7-16)8-17/h9,15,17H,1-8H2
InChIKeyNNDSKANZAZUTMO-UHFFFAOYSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6a-(Trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 165756268
2-Methyl-2-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]butan-1-ol
CID 81419304
[3-Fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 120905738
1-[3a-(Hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4,4,4-trifluorobutan-1-one
CID 137343636
[2-(5-fluoropentyl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol diacetate (salt)
CID 138382731
1-[3a-(Hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 154916512
Acetic acid;[5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 154923989
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane
CID 142409451
5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-4-ol
CID 172324269
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 60916992
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 63221969
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-ol
CID 108124271

Frequently Asked Questions

What is the IUPAC name of [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138387046) is [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is OCC12CNCC1CN(CCCC(F)(F)F)C2.
What is the InChIKey of [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is NNDSKANZAZUTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)2-1-3-16-5-9-4-15-6-10(9,7-16)8-17/h9,15,17H,1-8H2.
What are the key properties of [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 252.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,4-trifluorobutyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138387046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).