2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine

C14H18F3NO — CID 117271903

IUPAC2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOCC1(Cc2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H18F3NO/c1-19-10-13(7-4-8-18-13)9-11-5-2-3-6-12(11)14(15,16)17/h2-3,5-6,18H,4,7-10H2,1H3
InChIKeyDDLZNYYPBHJJJY-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.02
Rot. Bonds4

About 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine

2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 117271903) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID117271903
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCOCC1(Cc2ccccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H18F3NO/c1-19-10-13(7-4-8-18-13)9-11-5-2-3-6-12(11)14(15,16)17/h2-3,5-6,18H,4,7-10H2,1H3
InChIKeyDDLZNYYPBHJJJY-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 117271903) is 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is COCC1(Cc2ccccc2C(F)(F)F)CCCN1.
What is the InChIKey of 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is DDLZNYYPBHJJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-10-13(7-4-8-18-13)9-11-5-2-3-6-12(11)14(15,16)17/h2-3,5-6,18H,4,7-10H2,1H3.
What are the key properties of 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine?
2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117271903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).