ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate

C10H10F3NO2 — CID 133090974

IUPACethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)cc(F)n1
InChIInChI=1S/C10H10F3NO2/c1-2-16-9(15)5-7-3-6(10(12)13)4-8(11)14-7/h3-4,10H,2,5H2,1H3
InChIKeyZNQZHTFKSKRAAG-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate

ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate (PubChem CID 133090974) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
PubChem CID133090974
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Nameethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)cc(F)n1
InChIInChI=1S/C10H10F3NO2/c1-2-16-9(15)5-7-3-6(10(12)13)4-8(11)14-7/h3-4,10H,2,5H2,1H3
InChIKeyZNQZHTFKSKRAAG-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134682688
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]acetate
CID 133104669
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
ethyl 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134673677
ethyl 2-[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134663511
ethyl 2-[4-(bromomethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104625
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801
ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
CID 134669228
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate (CID 133090974) is ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)cc(F)n1.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate?
The InChIKey is ZNQZHTFKSKRAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-2-16-9(15)5-7-3-6(10(12)13)4-8(11)14-7/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate?
ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate has a molecular weight of 233.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 133090974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).