3-fluoropyrrolidine-3-carbonyl fluoride

C5H7F2NO — CID 87229647

IUPAC3-fluoropyrrolidine-3-carbonyl fluoride
SMILESO=C(F)C1(F)CCNC1
InChIInChI=1S/C5H7F2NO/c6-4(9)5(7)1-2-8-3-5/h8H,1-3H2
InChIKeyWNZJHUOADJCVCY-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.18
Rot. Bonds1

About 3-fluoropyrrolidine-3-carbonyl fluoride

3-fluoropyrrolidine-3-carbonyl fluoride (PubChem CID 87229647) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 3-fluoropyrrolidine-3-carbonyl fluoride.

Molecular Properties

Compound Name3-fluoropyrrolidine-3-carbonyl fluoride
PubChem CID87229647
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name3-fluoropyrrolidine-3-carbonyl fluoride
SMILESO=C(F)C1(F)CCNC1
InChIInChI=1S/C5H7F2NO/c6-4(9)5(7)1-2-8-3-5/h8H,1-3H2
InChIKeyWNZJHUOADJCVCY-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine-3-carbonyl fluoride?
The IUPAC name of 3-fluoropyrrolidine-3-carbonyl fluoride (CID 87229647) is 3-fluoropyrrolidine-3-carbonyl fluoride.
What is the SMILES notation for 3-fluoropyrrolidine-3-carbonyl fluoride?
The canonical SMILES for 3-fluoropyrrolidine-3-carbonyl fluoride is O=C(F)C1(F)CCNC1.
What is the InChIKey of 3-fluoropyrrolidine-3-carbonyl fluoride?
The InChIKey is WNZJHUOADJCVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-4(9)5(7)1-2-8-3-5/h8H,1-3H2.
What are the key properties of 3-fluoropyrrolidine-3-carbonyl fluoride?
3-fluoropyrrolidine-3-carbonyl fluoride has a molecular weight of 135.11 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-3-carbonyl fluoride is sourced from PubChem (CID 87229647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).