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

C12H23FN2O — CID 138382731

IUPAC[5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESOCC12CNCC1CN(CCCCCF)C2
InChIInChI=1S/C12H23FN2O/c13-4-2-1-3-5-15-7-11-6-14-8-12(11,9-15)10-16/h11,14,16H,1-10H2
InChIKeyYDXCQKOSQQFNCJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.64
Rot. Bonds6

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

[5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138382731) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID138382731
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name[5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESOCC12CNCC1CN(CCCCCF)C2
InChIInChI=1S/C12H23FN2O/c13-4-2-1-3-5-15-7-11-6-14-8-12(11,9-15)10-16/h11,14,16H,1-10H2
InChIKeyYDXCQKOSQQFNCJ-UHFFFAOYSA-N
XLogP0.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6a-(Trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 165756268
[3-Fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 120905738
[2-(4,4,4-trifluorobutyl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol diacetate (salt)
CID 138387046
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
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
CID 62924174
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 63221969
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)hexan-1-ol
CID 103737822
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-ol
CID 108124271
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 108124287
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]hexan-1-ol
CID 108124764

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138382731) is [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is OCC12CNCC1CN(CCCCCF)C2.
What is the InChIKey of [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is YDXCQKOSQQFNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O/c13-4-2-1-3-5-15-7-11-6-14-8-12(11,9-15)10-16/h11,14,16H,1-10H2.
What are the key properties of [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 230.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoropentyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138382731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).