(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 68890415

IUPAC(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid
SMILESCO[C@@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-7-5-2-3-6-4-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKeyDVVJEWGJIJJFLB-NUBCRITNSA-N
MW215.17 g/mol
LogP0.63
Rot. Bonds1

About (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid

(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 68890415) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID68890415
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid
SMILESCO[C@@H]1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-7-5-2-3-6-4-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKeyDVVJEWGJIJJFLB-NUBCRITNSA-N
XLogP0.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid (CID 68890415) is (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid is CO[C@@H]1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is DVVJEWGJIJJFLB-NUBCRITNSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-7-5-2-3-6-4-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1.
What are the key properties of (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid?
(3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxypyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68890415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).