1,2,2,3-tetrafluoropyrrolidine

C4H5F4N — CID 22011300

IUPAC1,2,2,3-tetrafluoropyrrolidine
SMILESFC1CCN(F)C1(F)F
InChIInChI=1S/C4H5F4N/c5-3-1-2-9(8)4(3,6)7/h3H,1-2H2
InChIKeyLXGJMCWTPSXCMZ-UHFFFAOYSA-N
MW143.08 g/mol
LogP1.51
Rot. Bonds

About 1,2,2,3-tetrafluoropyrrolidine

1,2,2,3-tetrafluoropyrrolidine (PubChem CID 22011300) has the molecular formula C4H5F4N and a molecular weight of 143.08 g/mol. Its IUPAC name is 1,2,2,3-tetrafluoropyrrolidine.

Molecular Properties

Compound Name1,2,2,3-tetrafluoropyrrolidine
PubChem CID22011300
Molecular FormulaC4H5F4N
Molecular Weight143.08 g/mol
Exact Mass143.04
IUPAC Name1,2,2,3-tetrafluoropyrrolidine
SMILESFC1CCN(F)C1(F)F
InChIInChI=1S/C4H5F4N/c5-3-1-2-9(8)4(3,6)7/h3H,1-2H2
InChIKeyLXGJMCWTPSXCMZ-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrafluoropyrrolidine?
The IUPAC name of 1,2,2,3-tetrafluoropyrrolidine (CID 22011300) is 1,2,2,3-tetrafluoropyrrolidine.
What is the SMILES notation for 1,2,2,3-tetrafluoropyrrolidine?
The canonical SMILES for 1,2,2,3-tetrafluoropyrrolidine is FC1CCN(F)C1(F)F.
What is the InChIKey of 1,2,2,3-tetrafluoropyrrolidine?
The InChIKey is LXGJMCWTPSXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4N/c5-3-1-2-9(8)4(3,6)7/h3H,1-2H2.
What are the key properties of 1,2,2,3-tetrafluoropyrrolidine?
1,2,2,3-tetrafluoropyrrolidine has a molecular weight of 143.08 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrafluoropyrrolidine is sourced from PubChem (CID 22011300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).