(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C7H12FN — CID 96581815

IUPAC(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESF[C@@H]1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C7H12FN/c8-7-2-1-5-3-9-4-6(5)7/h5-7,9H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyPKNAKQWUHJAFLA-RRKCRQDMSA-N
MW129.18 g/mol
LogP0.95
Rot. Bonds

About (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 96581815) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID96581815
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESF[C@@H]1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C7H12FN/c8-7-2-1-5-3-9-4-6(5)7/h5-7,9H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyPKNAKQWUHJAFLA-RRKCRQDMSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole with MolForge

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Related Compounds

(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 99123348
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
CID 91800946
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914
(3R,4S)-4-(azetidin-3-yl)-3-fluoropiperidine
CID 130985817
(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
CID 130682149
(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 124520340
(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 171921114
5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 105428512
(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
CID 55288326
(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 72942391
(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 130759633

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 96581815) is (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is F[C@@H]1CC[C@H]2CNC[C@H]21.
What is the InChIKey of (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is PKNAKQWUHJAFLA-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H12FN/c8-7-2-1-5-3-9-4-6(5)7/h5-7,9H,1-4H2/t5-,6+,7+/m0/s1.
What are the key properties of (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 129.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 96581815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).