3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one

C7H4ClF4NO2 — CID 14665042

IUPAC3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C7H4ClF4NO2/c8-4-1-3(2-13-5(4)14)15-7(11,12)6(9)10/h1-2,6H,(H,13,14)
InChIKeyGRGUYBOHANIUQE-UHFFFAOYSA-N
MW245.56 g/mol
LogP2.27
Rot. Bonds3

About 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one

3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one (PubChem CID 14665042) has the molecular formula C7H4ClF4NO2 and a molecular weight of 245.56 g/mol. Its IUPAC name is 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
PubChem CID14665042
Molecular FormulaC7H4ClF4NO2
Molecular Weight245.56 g/mol
Exact Mass244.99
IUPAC Name3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C7H4ClF4NO2/c8-4-1-3(2-13-5(4)14)15-7(11,12)6(9)10/h1-2,6H,(H,13,14)
InChIKeyGRGUYBOHANIUQE-UHFFFAOYSA-N
XLogP2.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.56
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one (CID 14665042) is 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)C(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
The InChIKey is GRGUYBOHANIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4NO2/c8-4-1-3(2-13-5(4)14)15-7(11,12)6(9)10/h1-2,6H,(H,13,14).
What are the key properties of 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one?
3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one has a molecular weight of 245.56 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1,2,2-tetrafluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14665042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).