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

C10H18FN — CID 167467747

IUPAC2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(CCF)CC2C1
InChIInChI=1S/C10H18FN/c1-8-4-9-6-12(3-2-11)7-10(9)5-8/h8-10H,2-7H2,1H3
InChIKeyYCRWLTPYYWLVRU-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.93
Rot. Bonds2

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

2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 167467747) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID167467747
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(CCF)CC2C1
InChIInChI=1S/C10H18FN/c1-8-4-9-6-12(3-2-11)7-10(9)5-8/h8-10H,2-7H2,1H3
InChIKeyYCRWLTPYYWLVRU-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 167467747) is 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CC2CN(CCF)CC2C1.
What is the InChIKey of 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is YCRWLTPYYWLVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-4-9-6-12(3-2-11)7-10(9)5-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 171.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 167467747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).