(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

C11H18F6N2O4 — CID 86642075

IUPAC(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N[C@@H]1CCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.2C2HF3O2/c1-6(2)9-7-3-4-8-5-7;2*3-2(4,5)1(6)7/h6-9H,3-5H2,1-2H3;2*(H,6,7)/t7-;;/m1../s1
InChIKeyXUICAXBJAXGWBF-XCUBXKJBSA-N
MW356.26 g/mol
LogP1.61
Rot. Bonds2

About (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)

(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 86642075) has the molecular formula C11H18F6N2O4 and a molecular weight of 356.26 g/mol. Its IUPAC name is (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID86642075
Molecular FormulaC11H18F6N2O4
Molecular Weight356.26 g/mol
Exact Mass356.12
IUPAC Name(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N[C@@H]1CCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2.2C2HF3O2/c1-6(2)9-7-3-4-8-5-7;2*3-2(4,5)1(6)7/h6-9H,3-5H2,1-2H3;2*(H,6,7)/t7-;;/m1../s1
InChIKeyXUICAXBJAXGWBF-XCUBXKJBSA-N
XLogP1.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) (CID 86642075) is (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is CC(C)N[C@@H]1CCNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XUICAXBJAXGWBF-XCUBXKJBSA-N. The full InChI is InChI=1S/C7H16N2.2C2HF3O2/c1-6(2)9-7-3-4-8-5-7;2*3-2(4,5)1(6)7/h6-9H,3-5H2,1-2H3;2*(H,6,7)/t7-;;/m1../s1.
What are the key properties of (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 356.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 86642075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).