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

C8H14FN — CID 83853827

IUPAC5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1(F)CC2CNCC2C1
InChIInChI=1S/C8H14FN/c1-8(9)2-6-4-10-5-7(6)3-8/h6-7,10H,2-5H2,1H3
InChIKeyZLBJYJLDHGZZJM-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.34
Rot. Bonds

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

5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 83853827) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID83853827
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1(F)CC2CNCC2C1
InChIInChI=1S/C8H14FN/c1-8(9)2-6-4-10-5-7(6)3-8/h6-7,10H,2-5H2,1H3
InChIKeyZLBJYJLDHGZZJM-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 83853827) is 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1(F)CC2CNCC2C1.
What is the InChIKey of 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is ZLBJYJLDHGZZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-8(9)2-6-4-10-5-7(6)3-8/h6-7,10H,2-5H2,1H3.
What are the key properties of 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 143.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 83853827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).