3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid

C9H16F3NO3 — CID 68603175

IUPAC3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC(C)OC1CCNC1.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)
InChIKeyNBUUKRPOOVHROI-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.41
Rot. Bonds2

About 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid

3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 68603175) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID68603175
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
SMILESCC(C)OC1CCNC1.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)
InChIKeyNBUUKRPOOVHROI-UHFFFAOYSA-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

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Related Compounds

[(3S,4S)-4-acetyloxypyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 71680568
[(3R,4R)-4-acetyloxypyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 145948350
3-(2,2-Difluoroethoxy)pyrrolidine; trifluoroacetic acid
CID 165653669
(3S)-3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid
CID 68603170
(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid
CID 68890415
(3S)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid
CID 69560769
(3R)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]pyrrolidine;2,2,2-trifluoroacetic acid
CID 130449398
(3S)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]pyrrolidine;2,2,2-trifluoroacetic acid
CID 130449407
2-(4,4-Difluoropyrrolidin-3-yl)oxyacetic acid
CID 134533911
(4,4-Difluoropyrrolidin-3-yl) 2,2,2-trifluoroacetate
CID 135354449
[(3S)-pyrrolidin-3-yl] acetate;2,2,2-trifluoroacetic acid
CID 137352055
(3S)-3-(2-methylpropoxy)pyrrolidine;2,2,2-trifluoroacetic acid
CID 137352945

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid (CID 68603175) is 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid is CC(C)OC1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is NBUUKRPOOVHROI-UHFFFAOYSA-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).
What are the key properties of 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid?
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 3-propan-2-yloxypyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68603175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).