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

C7H12FNO — CID 124520340

IUPAC(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
SMILESO[C@H]1[C@H]2CNC[C@H]2C[C@H]1F
InChIInChI=1S/C7H12FNO/c8-6-1-4-2-9-3-5(4)7(6)10/h4-7,9-10H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyHEVILJNXCLTNQZ-UCROKIRRSA-N
MW145.18 g/mol
LogP-0.08
Rot. Bonds

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

(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol (PubChem CID 124520340) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
PubChem CID124520340
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
SMILESO[C@H]1[C@H]2CNC[C@H]2C[C@H]1F
InChIInChI=1S/C7H12FNO/c8-6-1-4-2-9-3-5(4)7(6)10/h4-7,9-10H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyHEVILJNXCLTNQZ-UCROKIRRSA-N
XLogP-0.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1R,5R,6S)-5-fluoro-3-azabicyclo[4.1.0]heptane
CID 130682149
[(1S,5S,6R)-3-azabicyclo[3.2.0]heptan-6-yl]methanol
CID 136589503
(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 99123348
(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 96581815
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
CID 91800946
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-4,7-diol
CID 176808820
(2R,6S,8S)-4-azatricyclo[4.4.0.02,8]decane
CID 55288326
3-(3-fluorocyclobutyl)azetidine;hydrochloride
CID 155893833
3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
CID 154998847
(3aR)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-pentaleno[1,2-c]pyrrole
CID 170152236
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
CID 55279783

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
The IUPAC name of (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol (CID 124520340) is (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
The canonical SMILES for (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol is O[C@H]1[C@H]2CNC[C@H]2C[C@H]1F.
What is the InChIKey of (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
The InChIKey is HEVILJNXCLTNQZ-UCROKIRRSA-N. The full InChI is InChI=1S/C7H12FNO/c8-6-1-4-2-9-3-5(4)7(6)10/h4-7,9-10H,1-3H2/t4-,5+,6-,7+/m1/s1.
What are the key properties of (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
(3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol has a molecular weight of 145.18 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,5R,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 124520340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).