N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)

C12H18F6N2O4 — CID 87922396

IUPACN-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CN[C@@H](CNC2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.2C2HF3O2/c1-2-8(9-5-1)6-10-7-3-4-7;2*3-2(4,5)1(6)7/h7-10H,1-6H2;2*(H,6,7)/t8-;;/m1../s1
InChIKeyJFMYBDQICQBVOA-YCBDHFTFSA-N
MW368.27 g/mol
LogP1.76
Rot. Bonds3

About N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)

N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87922396) has the molecular formula C12H18F6N2O4 and a molecular weight of 368.27 g/mol. Its IUPAC name is N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87922396
Molecular FormulaC12H18F6N2O4
Molecular Weight368.27 g/mol
Exact Mass368.12
IUPAC NameN-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
SMILESC1CN[C@@H](CNC2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.2C2HF3O2/c1-2-8(9-5-1)6-10-7-3-4-7;2*3-2(4,5)1(6)7/h7-10H,1-6H2;2*(H,6,7)/t8-;;/m1../s1
InChIKeyJFMYBDQICQBVOA-YCBDHFTFSA-N
XLogP1.76
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid) (CID 87922396) is N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid) is C1CN[C@@H](CNC2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JFMYBDQICQBVOA-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H16N2.2C2HF3O2/c1-2-8(9-5-1)6-10-7-3-4-7;2*3-2(4,5)1(6)7/h7-10H,1-6H2;2*(H,6,7)/t8-;;/m1../s1.
What are the key properties of N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid)?
N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 368.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87922396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).