2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride

C13H8F3NO2 — CID 54366866

IUPAC2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride
SMILESO=C(F)C(F)(F)c1ncccc1Oc1ccccc1
InChIInChI=1S/C13H8F3NO2/c14-12(18)13(15,16)11-10(7-4-8-17-11)19-9-5-2-1-3-6-9/h1-8H
InChIKeyUQKFWDFXRNZVSC-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.46
Rot. Bonds4

About 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride

2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride (PubChem CID 54366866) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride
PubChem CID54366866
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride
SMILESO=C(F)C(F)(F)c1ncccc1Oc1ccccc1
InChIInChI=1S/C13H8F3NO2/c14-12(18)13(15,16)11-10(7-4-8-17-11)19-9-5-2-1-3-6-9/h1-8H
InChIKeyUQKFWDFXRNZVSC-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride?
The IUPAC name of 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride (CID 54366866) is 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride is O=C(F)C(F)(F)c1ncccc1Oc1ccccc1.
What is the InChIKey of 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride?
The InChIKey is UQKFWDFXRNZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-12(18)13(15,16)11-10(7-4-8-17-11)19-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride?
2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride has a molecular weight of 267.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-phenoxy-2-pyridinyl)acetyl fluoride is sourced from PubChem (CID 54366866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).