4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C14H18FN — CID 57004188

IUPAC4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CCC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C14H18FN/c1-16-8-11-4-7-13(14(11)9-16)10-2-5-12(15)6-3-10/h2-3,5-6,11,13-14H,4,7-9H2,1H3
InChIKeyONLZJKUPPKKNIQ-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.88
Rot. Bonds1

About 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 57004188) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID57004188
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CCC(c3ccc(F)cc3)C2C1
InChIInChI=1S/C14H18FN/c1-16-8-11-4-7-13(14(11)9-16)10-2-5-12(15)6-3-10/h2-3,5-6,11,13-14H,4,7-9H2,1H3
InChIKeyONLZJKUPPKKNIQ-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 57004188) is 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CN1CC2CCC(c3ccc(F)cc3)C2C1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is ONLZJKUPPKKNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-16-8-11-4-7-13(14(11)9-16)10-2-5-12(15)6-3-10/h2-3,5-6,11,13-14H,4,7-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 219.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 57004188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).