(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid

C6H11F3N2O2 — CID 172762354

IUPAC(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2/c5-4-1-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3,5H2;(H,6,7)/t4-;/m0./s1
InChIKeyLVXWICNPBLPUAA-WCCKRBBISA-N
MW200.16 g/mol
LogP-0.06
Rot. Bonds

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

(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 172762354) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID172762354
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
SMILESN[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2/c5-4-1-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3,5H2;(H,6,7)/t4-;/m0./s1
InChIKeyLVXWICNPBLPUAA-WCCKRBBISA-N
XLogP-0.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
bis(2-hydroxyacetate);platinum(2+);(3S)-pyrrolidin-3-amine
CID 173389375
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
3-(phenylsulfanylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 23184280
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
acetic acid;piperidin-4-amine
CID 172796704

Frequently Asked Questions

What is the IUPAC name of (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid (CID 172762354) is (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is N[C@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is LVXWICNPBLPUAA-WCCKRBBISA-N. The full InChI is InChI=1S/C4H10N2.C2HF3O2/c5-4-1-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3,5H2;(H,6,7)/t4-;/m0./s1.
What are the key properties of (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid?
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 200.16 g/mol, XLogP of -0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172762354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).