3,3-difluoropyrrolidine-1-carbonyl fluoride

C5H6F3NO — CID 90144291

IUPAC3,3-difluoropyrrolidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(F)(F)C1
InChIInChI=1S/C5H6F3NO/c6-4(10)9-2-1-5(7,8)3-9/h1-3H2
InChIKeySGOVZDYWIOHJDK-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.42
Rot. Bonds

About 3,3-difluoropyrrolidine-1-carbonyl fluoride

3,3-difluoropyrrolidine-1-carbonyl fluoride (PubChem CID 90144291) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-1-carbonyl fluoride.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-1-carbonyl fluoride
PubChem CID90144291
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name3,3-difluoropyrrolidine-1-carbonyl fluoride
SMILESO=C(F)N1CCC(F)(F)C1
InChIInChI=1S/C5H6F3NO/c6-4(10)9-2-1-5(7,8)3-9/h1-3H2
InChIKeySGOVZDYWIOHJDK-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine-1-carbonyl fluoride?
The IUPAC name of 3,3-difluoropyrrolidine-1-carbonyl fluoride (CID 90144291) is 3,3-difluoropyrrolidine-1-carbonyl fluoride.
What is the SMILES notation for 3,3-difluoropyrrolidine-1-carbonyl fluoride?
The canonical SMILES for 3,3-difluoropyrrolidine-1-carbonyl fluoride is O=C(F)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoropyrrolidine-1-carbonyl fluoride?
The InChIKey is SGOVZDYWIOHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-4(10)9-2-1-5(7,8)3-9/h1-3H2.
What are the key properties of 3,3-difluoropyrrolidine-1-carbonyl fluoride?
3,3-difluoropyrrolidine-1-carbonyl fluoride has a molecular weight of 153.10 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-1-carbonyl fluoride is sourced from PubChem (CID 90144291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).