N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine

C10H17F3N2 — CID 102894325

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1NCC2CCCC21
InChIInChI=1S/C10H17F3N2/c11-10(12,13)6-14-5-9-8-3-1-2-7(8)4-15-9/h7-9,14-15H,1-6H2
InChIKeyKJYFGRBONUYHJE-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.53
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine (PubChem CID 102894325) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine
PubChem CID102894325
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCC1NCC2CCCC21
InChIInChI=1S/C10H17F3N2/c11-10(12,13)6-14-5-9-8-3-1-2-7(8)4-15-9/h7-9,14-15H,1-6H2
InChIKeyKJYFGRBONUYHJE-UHFFFAOYSA-N
XLogP1.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine (CID 102894325) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCC1NCC2CCCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine?
The InChIKey is KJYFGRBONUYHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)6-14-5-9-8-3-1-2-7(8)4-15-9/h7-9,14-15H,1-6H2.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine has a molecular weight of 222.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 102894325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).