(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C12H15F3N2O2 — CID 122677958

IUPAC(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCN(c2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2.C2HF3O2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,9H,6-8,11H2;(H,6,7)/t9-;/m0./s1
InChIKeyFFZZCVURCCGGCY-FVGYRXGTSA-N
MW276.26 g/mol
LogP1.86
Rot. Bonds1

About (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid

(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 122677958) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID122677958
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCN(c2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2.C2HF3O2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,9H,6-8,11H2;(H,6,7)/t9-;/m0./s1
InChIKeyFFZZCVURCCGGCY-FVGYRXGTSA-N
XLogP1.86
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine
CID 51663674
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
4-(3-aminopyrrolidin-1-yl)benzoyl chloride
CID 163480008
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-(3-aminopyrrolidin-1-yl)-2-(trifluoromethyl)benzamide
CID 55029458
1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122687416
1-(4-tert-butylphenyl)pyrrolidin-3-amine
CID 43314959
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 174922919

Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 122677958) is (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is N[C@H]1CCN(c2ccccc2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FFZZCVURCCGGCY-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14N2.C2HF3O2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,9H,6-8,11H2;(H,6,7)/t9-;/m0./s1.
What are the key properties of (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 276.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122677958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).