1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine

C8H14F3NO — CID 18722936

IUPAC1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
SMILESCN1CCC(OCCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-7(6-12)13-5-3-8(9,10)11/h7H,2-6H2,1H3
InChIKeyUOZRPMVKROROPL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.66
Rot. Bonds3

About 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine

1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine (PubChem CID 18722936) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
PubChem CID18722936
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
SMILESCN1CCC(OCCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-4-2-7(6-12)13-5-3-8(9,10)11/h7H,2-6H2,1H3
InChIKeyUOZRPMVKROROPL-UHFFFAOYSA-N
XLogP1.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine (CID 18722936) is 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine is CN1CCC(OCCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine?
The InChIKey is UOZRPMVKROROPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-4-2-7(6-12)13-5-3-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine?
1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine has a molecular weight of 197.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine is sourced from PubChem (CID 18722936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).