2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride

C9H14ClF2NO2 — CID 130628861

IUPAC2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CC2CCC(F)(F)C2C1
InChIInChI=1S/C9H13F2NO2.ClH/c10-9(11)2-1-6-3-12(4-7(6)9)5-8(13)14;/h6-7H,1-5H2,(H,13,14);1H
InChIKeyGIRYMZRSKRJQAO-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.47
Rot. Bonds2

About 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride

2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride (PubChem CID 130628861) has the molecular formula C9H14ClF2NO2 and a molecular weight of 241.66 g/mol. Its IUPAC name is 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride
PubChem CID130628861
Molecular FormulaC9H14ClF2NO2
Molecular Weight241.66 g/mol
Exact Mass241.07
IUPAC Name2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CC2CCC(F)(F)C2C1
InChIInChI=1S/C9H13F2NO2.ClH/c10-9(11)2-1-6-3-12(4-7(6)9)5-8(13)14;/h6-7H,1-5H2,(H,13,14);1H
InChIKeyGIRYMZRSKRJQAO-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride with MolForge

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Related Compounds

4-[(3aS,6aR)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-4-oxobutanoic acid
CID 129495078
2-[(3aR,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-N'-hydroxyethanimidamide
CID 129497515
2-(7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanol
CID 121215379
1-[(3aS,6aR)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-aminopropan-1-one
CID 129494748
(3aS,6aR)-4,4-difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 177157131
[(3aS,6aS)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 129499777
[(3aR,6aS)-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(azetidin-3-yl)methanone
CID 129499772
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 102682014
2-(7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanamine
CID 121201923
2-(3-hydroxyazetidin-1-yl)acetic acid
CID 63282398
2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid
CID 71244354
2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)acetic acid
CID 121202197

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride (CID 130628861) is 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride is Cl.O=C(O)CN1CC2CCC(F)(F)C2C1.
What is the InChIKey of 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride?
The InChIKey is GIRYMZRSKRJQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2.ClH/c10-9(11)2-1-6-3-12(4-7(6)9)5-8(13)14;/h6-7H,1-5H2,(H,13,14);1H.
What are the key properties of 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride?
2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride has a molecular weight of 241.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 130628861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).