(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride

C12H17Cl2FN2 — CID 155827288

IUPAC(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
SMILESCl.Cl.Fc1cccc(N2C[C@H]3CCN[C@H]3C2)c1
InChIInChI=1S/C12H15FN2.2ClH/c13-10-2-1-3-11(6-10)15-7-9-4-5-14-12(9)8-15;;/h1-3,6,9,12,14H,4-5,7-8H2;2*1H/t9-,12+;;/m1../s1
InChIKeyLRECWQVPXHUZIT-QVJGMPPOSA-N
MW279.19 g/mol
LogP2.47
Rot. Bonds1

About (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride

(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride (PubChem CID 155827288) has the molecular formula C12H17Cl2FN2 and a molecular weight of 279.19 g/mol. Its IUPAC name is (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride.

Molecular Properties

Compound Name(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
PubChem CID155827288
Molecular FormulaC12H17Cl2FN2
Molecular Weight279.19 g/mol
Exact Mass278.08
IUPAC Name(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride
SMILESCl.Cl.Fc1cccc(N2C[C@H]3CCN[C@H]3C2)c1
InChIInChI=1S/C12H15FN2.2ClH/c13-10-2-1-3-11(6-10)15-7-9-4-5-14-12(9)8-15;;/h1-3,6,9,12,14H,4-5,7-8H2;2*1H/t9-,12+;;/m1../s1
InChIKeyLRECWQVPXHUZIT-QVJGMPPOSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride 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

5-(5-fluoro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 22647181
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022829
5-(4-fluoro-3-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 126534001
(4aS,7aS)-6-(3-nitrophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683876
(6aS)-5-(5,6-dichloro-3-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;hydrochloride
CID 87785000
ethane;4-(3-fluorophenyl)-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine
CID 171540537
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(3-fluorophenyl)pyrimidin-2-amine
CID 11347519
3-cyclopropyl-1-(4-fluorophenyl)-1,4-diazepane
CID 64945264
3-(3-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064304
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
CID 102682225
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine
CID 64919809
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(trifluoromethyl)benzonitrile
CID 102683469

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
The IUPAC name of (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride (CID 155827288) is (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride.
What is the SMILES notation for (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
The canonical SMILES for (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride is Cl.Cl.Fc1cccc(N2C[C@H]3CCN[C@H]3C2)c1.
What is the InChIKey of (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
The InChIKey is LRECWQVPXHUZIT-QVJGMPPOSA-N. The full InChI is InChI=1S/C12H15FN2.2ClH/c13-10-2-1-3-11(6-10)15-7-9-4-5-14-12(9)8-15;;/h1-3,6,9,12,14H,4-5,7-8H2;2*1H/t9-,12+;;/m1../s1.
What are the key properties of (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride?
(3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride has a molecular weight of 279.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole;dihydrochloride is sourced from PubChem (CID 155827288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).