1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine

C8H12F3NO — CID 130507385

IUPAC1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCN(CC2CO2)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-1-2-12(3-6)4-7-5-13-7/h6-7H,1-5H2
InChIKeyDPRRHIJTYSUCNB-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.27
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine

1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 130507385) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID130507385
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCN(CC2CO2)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-1-2-12(3-6)4-7-5-13-7/h6-7H,1-5H2
InChIKeyDPRRHIJTYSUCNB-UHFFFAOYSA-N
XLogP1.27
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine (CID 130507385) is 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine is FC(F)(F)C1CCN(CC2CO2)C1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is DPRRHIJTYSUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-1-2-12(3-6)4-7-5-13-7/h6-7H,1-5H2.
What are the key properties of 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine?
1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 195.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 130507385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).