3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine

C8H14F3NO — CID 84733449

IUPAC3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine
SMILESCOC(CC1CCNC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-6-2-3-12-5-6/h6-7,12H,2-5H2,1H3
InChIKeyGEZWKXOXPOTFIZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds3

About 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine

3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine (PubChem CID 84733449) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine
PubChem CID84733449
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine
SMILESCOC(CC1CCNC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-6-2-3-12-5-6/h6-7,12H,2-5H2,1H3
InChIKeyGEZWKXOXPOTFIZ-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine?
The IUPAC name of 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine (CID 84733449) is 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine.
What is the SMILES notation for 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine?
The canonical SMILES for 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine is COC(CC1CCNC1)C(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine?
The InChIKey is GEZWKXOXPOTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-13-7(8(9,10)11)4-6-2-3-12-5-6/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine?
3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoro-2-methoxypropyl)pyrrolidine is sourced from PubChem (CID 84733449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).