2-(trifluoromethyl)pyrrolidine

C5H8F3N — CID 2782839

IUPAC2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCCN1
InChIInChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2
InChIKeyVINAMCOZNJHNIH-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.30
Rot. Bonds

About 2-(trifluoromethyl)pyrrolidine

2-(trifluoromethyl)pyrrolidine (PubChem CID 2782839) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine
PubChem CID2782839
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name2-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)C1CCCN1
InChIInChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2
InChIKeyVINAMCOZNJHNIH-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine (CID 2782839) is 2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine is FC(F)(F)C1CCCN1.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine?
The InChIKey is VINAMCOZNJHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2.
What are the key properties of 2-(trifluoromethyl)pyrrolidine?
2-(trifluoromethyl)pyrrolidine has a molecular weight of 139.12 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 2782839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).