1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine

C8H13F4N — CID 58361970

IUPAC1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine
SMILESCC(C)(C)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C8H13F4N/c1-6(2,3)13-4-7(9,10)8(11,12)5-13/h4-5H2,1-3H3
InChIKeyHLTYGZCQUJYFNQ-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.37
Rot. Bonds

About 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine

1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine (PubChem CID 58361970) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine
PubChem CID58361970
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine
SMILESCC(C)(C)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C8H13F4N/c1-6(2,3)13-4-7(9,10)8(11,12)5-13/h4-5H2,1-3H3
InChIKeyHLTYGZCQUJYFNQ-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine?
The IUPAC name of 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine (CID 58361970) is 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine.
What is the SMILES notation for 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine?
The canonical SMILES for 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine is CC(C)(C)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine?
The InChIKey is HLTYGZCQUJYFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c1-6(2,3)13-4-7(9,10)8(11,12)5-13/h4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine?
1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine has a molecular weight of 199.19 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3,4,4-tetrafluoropyrrolidine is sourced from PubChem (CID 58361970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).