(3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C8H15F3N2O2 — CID 67585128

IUPAC(3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c1-8(2)6-3-4-7-5-6;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1
InChIKeyLHDZBCNUSRKKDL-RGMNGODLSA-N
MW228.21 g/mol
LogP0.54
Rot. Bonds1

About (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

(3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 67585128) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID67585128
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name(3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c1-8(2)6-3-4-7-5-6;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1
InChIKeyLHDZBCNUSRKKDL-RGMNGODLSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 67585128) is (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is CN(C)[C@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LHDZBCNUSRKKDL-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2.C2HF3O2/c1-8(2)6-3-4-7-5-6;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1.
What are the key properties of (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
(3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 228.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67585128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).