3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole

C8H14FN — CID 159715178

IUPAC3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCN1CC2CCCC2(F)C1
InChIInChI=1S/C8H14FN/c1-10-5-7-3-2-4-8(7,9)6-10/h7H,2-6H2,1H3
InChIKeyMZILPYVTKZDOGR-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.44
Rot. Bonds

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

3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 159715178) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID159715178
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCN1CC2CCCC2(F)C1
InChIInChI=1S/C8H14FN/c1-10-5-7-3-2-4-8(7,9)6-10/h7H,2-6H2,1H3
InChIKeyMZILPYVTKZDOGR-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole (CID 159715178) is 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is CN1CC2CCCC2(F)C1.
What is the InChIKey of 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is MZILPYVTKZDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-10-5-7-3-2-4-8(7,9)6-10/h7H,2-6H2,1H3.
What are the key properties of 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole?
3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 143.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 159715178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).