2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

C10H18F3NO — CID 163270688

IUPAC2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)OCC1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)15-6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyNACZCPNNKNLSAR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds4

About 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 163270688) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID163270688
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)OCC1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)15-6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyNACZCPNNKNLSAR-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 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 163270688) is 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)OCC1CCCN1CC(F)(F)F.
What is the InChIKey of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is NACZCPNNKNLSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)15-6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
2-(propan-2-yloxymethyl)-1-(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 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 163270688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).