3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine

C8H13F4N — CID 59458958

IUPAC3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C8H13F4N/c1-6(2)3-13-4-7(9,10)8(11,12)5-13/h6H,3-5H2,1-2H3
InChIKeyUUVCFQSNRSUWNW-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.23
Rot. Bonds2

About 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine

3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine (PubChem CID 59458958) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine
PubChem CID59458958
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C8H13F4N/c1-6(2)3-13-4-7(9,10)8(11,12)5-13/h6H,3-5H2,1-2H3
InChIKeyUUVCFQSNRSUWNW-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine 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 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine (CID 59458958) is 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine?
The InChIKey is UUVCFQSNRSUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c1-6(2)3-13-4-7(9,10)8(11,12)5-13/h6H,3-5H2,1-2H3.
What are the key properties of 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine?
3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine has a molecular weight of 199.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 59458958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).