3-ethyl-1,2,2-trifluoropyrrolidine

C6H10F3N — CID 162568340

IUPAC3-ethyl-1,2,2-trifluoropyrrolidine
SMILESCCC1CCN(F)C1(F)F
InChIInChI=1S/C6H10F3N/c1-2-5-3-4-10(9)6(5,7)8/h5H,2-4H2,1H3
InChIKeyPLBIKBSJWYAOSS-UHFFFAOYSA-N
MW153.15 g/mol
LogP2.20
Rot. Bonds1

About 3-ethyl-1,2,2-trifluoropyrrolidine

3-ethyl-1,2,2-trifluoropyrrolidine (PubChem CID 162568340) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 3-ethyl-1,2,2-trifluoropyrrolidine.

Molecular Properties

Compound Name3-ethyl-1,2,2-trifluoropyrrolidine
PubChem CID162568340
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name3-ethyl-1,2,2-trifluoropyrrolidine
SMILESCCC1CCN(F)C1(F)F
InChIInChI=1S/C6H10F3N/c1-2-5-3-4-10(9)6(5,7)8/h5H,2-4H2,1H3
InChIKeyPLBIKBSJWYAOSS-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,2-trifluoropyrrolidine?
The IUPAC name of 3-ethyl-1,2,2-trifluoropyrrolidine (CID 162568340) is 3-ethyl-1,2,2-trifluoropyrrolidine.
What is the SMILES notation for 3-ethyl-1,2,2-trifluoropyrrolidine?
The canonical SMILES for 3-ethyl-1,2,2-trifluoropyrrolidine is CCC1CCN(F)C1(F)F.
What is the InChIKey of 3-ethyl-1,2,2-trifluoropyrrolidine?
The InChIKey is PLBIKBSJWYAOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-5-3-4-10(9)6(5,7)8/h5H,2-4H2,1H3.
What are the key properties of 3-ethyl-1,2,2-trifluoropyrrolidine?
3-ethyl-1,2,2-trifluoropyrrolidine has a molecular weight of 153.15 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,2-trifluoropyrrolidine is sourced from PubChem (CID 162568340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).