6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C8H11F2NO2 — CID 11229271

IUPAC6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESO=C(O)C1NCC2C1CCC2(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)2-1-4-5(8)3-11-6(4)7(12)13/h4-6,11H,1-3H2,(H,12,13)
InChIKeyYOMAIYSFNALIPL-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.70
Rot. Bonds1

About 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 11229271) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID11229271
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESO=C(O)C1NCC2C1CCC2(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)2-1-4-5(8)3-11-6(4)7(12)13/h4-6,11H,1-3H2,(H,12,13)
InChIKeyYOMAIYSFNALIPL-UHFFFAOYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

2-Azabicyclo(3.3.0)octane-3-carboxylic acid
CID 194816
rac-(1R,3aR,6aS)-octahydrocyclopenta(c)pyrrole-1-carboxylic acid hydrochloride
CID 132372773
SS-3122
CID 821222
Octahydrocyclopenta[b]pyrrole-2-carboxylic acid
CID 11446836
(1S,3aR,6aS)-Octahydrocyclopenta(c)pyrrole-1-carboxylic acid
CID 16244073
methyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate
CID 16244076
4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid
CID 11816138
4-(2,2-Difluoropentyl)pyrrolidine-2-carboxylic acid
CID 21076014
4-(3,3-Difluorobutyl)pyrrolidine-2-carboxylic acid
CID 21076017
4-(3,3-Difluoropentyl)pyrrolidine-2-carboxylic acid
CID 21076019
4-(3,3-Difluoropropyl)pyrrolidine-2-carboxylic acid
CID 21076022
4-(4,4-Difluoropentyl)pyrrolidine-2-carboxylic acid
CID 21076029

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 11229271) is 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is O=C(O)C1NCC2C1CCC2(F)F.
What is the InChIKey of 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is YOMAIYSFNALIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)2-1-4-5(8)3-11-6(4)7(12)13/h4-6,11H,1-3H2,(H,12,13).
What are the key properties of 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 191.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 11229271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).