2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid

C10H16F2N2O2 — CID 126574173

IUPAC2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
SMILESCC(F)(F)CN1CC2CN(C(=O)O)CC2C1
InChIInChI=1S/C10H16F2N2O2/c1-10(11,12)6-13-2-7-4-14(9(15)16)5-8(7)3-13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyMUWKNXJTRREZDU-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.18
Rot. Bonds2

About 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid

2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 126574173) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
PubChem CID126574173
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
SMILESCC(F)(F)CN1CC2CN(C(=O)O)CC2C1
InChIInChI=1S/C10H16F2N2O2/c1-10(11,12)6-13-2-7-4-14(9(15)16)5-8(7)3-13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyMUWKNXJTRREZDU-UHFFFAOYSA-N
XLogP1.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid with MolForge

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Related Compounds

1-(2,2-difluoropropyl)piperidine-4-carboxylic acid
CID 83855153
cyclopentyl-[2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 121185694
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
1-(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,2-dimethylpropan-1-one
CID 138562984
1-[2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 134071375
2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
CID 84656475
3-(2,2-difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-methylpropanoic acid
CID 115561579
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
8-(hydroxymethyl)-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69144156
3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylic acid
CID 174236619
(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 67605956

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid (CID 126574173) is 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid is CC(F)(F)CN1CC2CN(C(=O)O)CC2C1.
What is the InChIKey of 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is MUWKNXJTRREZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-10(11,12)6-13-2-7-4-14(9(15)16)5-8(7)3-13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid?
2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 126574173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).