1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine

C12H14F3NO — CID 18680628

IUPAC1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1cc(F)c(COCN2CCCC2)cc1F
InChIInChI=1S/C12H14F3NO/c13-10-6-12(15)11(14)5-9(10)7-17-8-16-3-1-2-4-16/h5-6H,1-4,7-8H2
InChIKeyDXGITOMYEXUCQU-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds4

About 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine

1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine (PubChem CID 18680628) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine
PubChem CID18680628
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine
SMILESFc1cc(F)c(COCN2CCCC2)cc1F
InChIInChI=1S/C12H14F3NO/c13-10-6-12(15)11(14)5-9(10)7-17-8-16-3-1-2-4-16/h5-6H,1-4,7-8H2
InChIKeyDXGITOMYEXUCQU-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine (CID 18680628) is 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine is Fc1cc(F)c(COCN2CCCC2)cc1F.
What is the InChIKey of 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is DXGITOMYEXUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-10-6-12(15)11(14)5-9(10)7-17-8-16-3-1-2-4-16/h5-6H,1-4,7-8H2.
What are the key properties of 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine?
1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 245.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 18680628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).