3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine

C7H9F4N — CID 58361966

IUPAC3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C7H9F4N/c1-2-3-12-4-6(8,9)7(10,11)5-12/h2H,1,3-5H2
InChIKeyAKUWKLDKDLSEDZ-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.76
Rot. Bonds2

About 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine

3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine (PubChem CID 58361966) has the molecular formula C7H9F4N and a molecular weight of 183.15 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine
PubChem CID58361966
Molecular FormulaC7H9F4N
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C7H9F4N/c1-2-3-12-4-6(8,9)7(10,11)5-12/h2H,1,3-5H2
InChIKeyAKUWKLDKDLSEDZ-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine?
The IUPAC name of 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine (CID 58361966) is 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine is C=CCN1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine?
The InChIKey is AKUWKLDKDLSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N/c1-2-3-12-4-6(8,9)7(10,11)5-12/h2H,1,3-5H2.
What are the key properties of 3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine?
3,3,4,4-tetrafluoro-1-prop-2-enylpyrrolidine has a molecular weight of 183.15 g/mol, XLogP of 1.76, 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-prop-2-enylpyrrolidine is sourced from PubChem (CID 58361966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).