3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C15H20FN — CID 102894120

IUPAC3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFc1cccc(CCC2NCC3CCCC32)c1
InChIInChI=1S/C15H20FN/c16-13-5-1-3-11(9-13)7-8-15-14-6-2-4-12(14)10-17-15/h1,3,5,9,12,14-15,17H,2,4,6-8,10H2
InChIKeyHTKSWMGKKPVJGZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.15
Rot. Bonds3

About 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894120) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894120
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESFc1cccc(CCC2NCC3CCCC32)c1
InChIInChI=1S/C15H20FN/c16-13-5-1-3-11(9-13)7-8-15-14-6-2-4-12(14)10-17-15/h1,3,5,9,12,14-15,17H,2,4,6-8,10H2
InChIKeyHTKSWMGKKPVJGZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclopentylpropyl)-3-fluorobenzene
CID 118922459
(3S)-3-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141332966
(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 102894289
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
1-fluoro-3-[2-(4-prop-2-enylcyclohexyl)ethyl]benzene
CID 70178862
N-[(3-fluorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79544989
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423
5-[2-(3-fluorophenyl)ethyl]-3-hydroxypiperidin-2-one
CID 121493754
3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
CID 115070515
2-[(3-fluorophenyl)methyl]azepane
CID 62544707

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894120) is 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is Fc1cccc(CCC2NCC3CCCC32)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is HTKSWMGKKPVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c16-13-5-1-3-11(9-13)7-8-15-14-6-2-4-12(14)10-17-15/h1,3,5,9,12,14-15,17H,2,4,6-8,10H2.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 233.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).