1-ethyl-3,3,4,4-tetrafluoropyrrolidine

C6H9F4N — CID 58921645

IUPAC1-ethyl-3,3,4,4-tetrafluoropyrrolidine
SMILESCCN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H9F4N/c1-2-11-3-5(7,8)6(9,10)4-11/h2-4H2,1H3
InChIKeyZFTVGTHPENYRLP-UHFFFAOYSA-N
MW171.14 g/mol
LogP1.59
Rot. Bonds1

About 1-ethyl-3,3,4,4-tetrafluoropyrrolidine

1-ethyl-3,3,4,4-tetrafluoropyrrolidine (PubChem CID 58921645) has the molecular formula C6H9F4N and a molecular weight of 171.14 g/mol. Its IUPAC name is 1-ethyl-3,3,4,4-tetrafluoropyrrolidine.

Molecular Properties

Compound Name1-ethyl-3,3,4,4-tetrafluoropyrrolidine
PubChem CID58921645
Molecular FormulaC6H9F4N
Molecular Weight171.14 g/mol
Exact Mass171.07
IUPAC Name1-ethyl-3,3,4,4-tetrafluoropyrrolidine
SMILESCCN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C6H9F4N/c1-2-11-3-5(7,8)6(9,10)4-11/h2-4H2,1H3
InChIKeyZFTVGTHPENYRLP-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-3,3,4,4-tetrafluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
The IUPAC name of 1-ethyl-3,3,4,4-tetrafluoropyrrolidine (CID 58921645) is 1-ethyl-3,3,4,4-tetrafluoropyrrolidine.
What is the SMILES notation for 1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
The canonical SMILES for 1-ethyl-3,3,4,4-tetrafluoropyrrolidine is CCN1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
The InChIKey is ZFTVGTHPENYRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N/c1-2-11-3-5(7,8)6(9,10)4-11/h2-4H2,1H3.
What are the key properties of 1-ethyl-3,3,4,4-tetrafluoropyrrolidine?
1-ethyl-3,3,4,4-tetrafluoropyrrolidine has a molecular weight of 171.14 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3,4,4-tetrafluoropyrrolidine is sourced from PubChem (CID 58921645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).