(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride

C13H17ClFNO — CID 171700411

IUPAC(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
SMILESCl.Fc1cccc(O[C@H]2CCC3CNCC32)c1
InChIInChI=1S/C13H16FNO.ClH/c14-10-2-1-3-11(6-10)16-13-5-4-9-7-15-8-12(9)13;/h1-3,6,9,12-13,15H,4-5,7-8H2;1H/t9?,12?,13-;/m0./s1
InChIKeyWSNQSUROFYTBOC-SDOQSEQSSA-N
MW257.74 g/mol
LogP2.62
Rot. Bonds2

About (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride

(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride (PubChem CID 171700411) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
PubChem CID171700411
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
SMILESCl.Fc1cccc(O[C@H]2CCC3CNCC32)c1
InChIInChI=1S/C13H16FNO.ClH/c14-10-2-1-3-11(6-10)16-13-5-4-9-7-15-8-12(9)13;/h1-3,6,9,12-13,15H,4-5,7-8H2;1H/t9?,12?,13-;/m0./s1
InChIKeyWSNQSUROFYTBOC-SDOQSEQSSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
CID 84673420
[(3aS,4S,6aR)-4-(3-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone
CID 110109802
1-[(3aS,4S,6aR)-4-(3-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,6-dimethoxyphenoxy)ethanone
CID 110121542
[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
N-[[(1R,2R,3R)-3-(3-fluorophenoxy)-2-hydroxycyclopentyl]methyl]-2-piperidin-4-ylacetamide
CID 155996043
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
CID 110157998
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 171921114
6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79836584
5-(3-fluorophenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79859640

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The IUPAC name of (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride (CID 171700411) is (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride.
What is the SMILES notation for (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The canonical SMILES for (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride is Cl.Fc1cccc(O[C@H]2CCC3CNCC32)c1.
What is the InChIKey of (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
The InChIKey is WSNQSUROFYTBOC-SDOQSEQSSA-N. The full InChI is InChI=1S/C13H16FNO.ClH/c14-10-2-1-3-11(6-10)16-13-5-4-9-7-15-8-12(9)13;/h1-3,6,9,12-13,15H,4-5,7-8H2;1H/t9?,12?,13-;/m0./s1.
What are the key properties of (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride?
(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride has a molecular weight of 257.74 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride is sourced from PubChem (CID 171700411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).