1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine

C10H18F3NO — CID 118615712

IUPAC1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCCN1CCCC1(COC)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14-6-4-5-9(14,8-15-2)7-10(11,12)13/h3-8H2,1-2H3
InChIKeyFBXXPQXKBDXVDT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds4

About 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine

1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 118615712) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID118615712
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCCN1CCCC1(COC)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14-6-4-5-9(14,8-15-2)7-10(11,12)13/h3-8H2,1-2H3
InChIKeyFBXXPQXKBDXVDT-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine (CID 118615712) is 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine is CCN1CCCC1(COC)CC(F)(F)F.
What is the InChIKey of 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is FBXXPQXKBDXVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-14-6-4-5-9(14,8-15-2)7-10(11,12)13/h3-8H2,1-2H3.
What are the key properties of 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine?
1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 225.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 118615712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).