4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid

C11H18F4N2O2 — CID 68601866

IUPAC4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
SMILESF[C@H]1CCN(C2CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17FN2.C2HF3O2/c10-8-3-6-12(7-8)9-1-4-11-5-2-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2;(H,6,7)/t8-;/m0./s1
InChIKeyQQWYGSRSFMLCRO-QRPNPIFTSA-N
MW286.27 g/mol
LogP1.42
Rot. Bonds1

About 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid

4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 68601866) has the molecular formula C11H18F4N2O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID68601866
Molecular FormulaC11H18F4N2O2
Molecular Weight286.27 g/mol
Exact Mass286.13
IUPAC Name4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
SMILESF[C@H]1CCN(C2CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17FN2.C2HF3O2/c10-8-3-6-12(7-8)9-1-4-11-5-2-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2;(H,6,7)/t8-;/m0./s1
InChIKeyQQWYGSRSFMLCRO-QRPNPIFTSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid (CID 68601866) is 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid is F[C@H]1CCN(C2CCNCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is QQWYGSRSFMLCRO-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H17FN2.C2HF3O2/c10-8-3-6-12(7-8)9-1-4-11-5-2-9;3-2(4,5)1(6)7/h8-9,11H,1-7H2;(H,6,7)/t8-;/m0./s1.
What are the key properties of 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 286.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68601866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).