3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C7H13FN2 — CID 138719512

IUPAC3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESNC1CC2CNCC2(F)C1
InChIInChI=1S/C7H13FN2/c8-7-2-6(9)1-5(7)3-10-4-7/h5-6,10H,1-4,9H2
InChIKeyOHIXVNUDNUKPBS-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.04
Rot. Bonds

About 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 138719512) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID138719512
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESNC1CC2CNCC2(F)C1
InChIInChI=1S/C7H13FN2/c8-7-2-6(9)1-5(7)3-10-4-7/h5-6,10H,1-4,9H2
InChIKeyOHIXVNUDNUKPBS-UHFFFAOYSA-N
XLogP0.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
(3R)-4,4-difluoropyrrolidin-3-amine;hydrochloride
CID 170923039
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
CID 170913208
3a-fluoro-1-methyl-2,3,4,5,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 143675312
3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
CID 112563947
3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
CID 112563346
1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 75481813
1-(azetidin-3-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165497645
1-bromo-3-azabicyclo[3.1.0]hexane
CID 151929909
(4R)-6,6-difluoroazepan-4-amine
CID 141363121
(1S,5S)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 124660379
(1S,5R)-9,9-difluoro-3-oxa-7-azabicyclo[3.3.1]nonane
CID 55279054

Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 138719512) is 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is NC1CC2CNCC2(F)C1.
What is the InChIKey of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is OHIXVNUDNUKPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c8-7-2-6(9)1-5(7)3-10-4-7/h5-6,10H,1-4,9H2.
What are the key properties of 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 144.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 138719512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).