(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid

C9H16F3NO3 — CID 68603170

IUPAC(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC(C)O[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-6(2)9-7-3-4-8-5-7;3-2(4,5)1(6)7/h6-8H,3-5H2,1-2H3;(H,6,7)/t7-;/m0./s1
InChIKeyNBUUKRPOOVHROI-FJXQXJEOSA-N
MW243.22 g/mol
LogP1.41
Rot. Bonds2

About (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid

(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 68603170) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID68603170
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC(C)O[C@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15NO.C2HF3O2/c1-6(2)9-7-3-4-8-5-7;3-2(4,5)1(6)7/h6-8H,3-5H2,1-2H3;(H,6,7)/t7-;/m0./s1
InChIKeyNBUUKRPOOVHROI-FJXQXJEOSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-propan-2-yloxypyrrolidine;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 (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid (CID 68603170) is (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid is CC(C)O[C@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is NBUUKRPOOVHROI-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NO.C2HF3O2/c1-6(2)9-7-3-4-8-5-7;3-2(4,5)1(6)7/h6-8H,3-5H2,1-2H3;(H,6,7)/t7-;/m0./s1.
What are the key properties of (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68603170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).