2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine

C14H9F4NO — CID 10850521

IUPAC2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
SMILESFc1ccc(C2(C(F)(F)c3ccccn3)CO2)c(F)c1
InChIInChI=1S/C14H9F4NO/c15-9-4-5-10(11(16)7-9)13(8-20-13)14(17,18)12-3-1-2-6-19-12/h1-7H,8H2
InChIKeyBCMOKDBAQGMQLW-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.38
Rot. Bonds3

About 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine

2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine (PubChem CID 10850521) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
PubChem CID10850521
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
SMILESFc1ccc(C2(C(F)(F)c3ccccn3)CO2)c(F)c1
InChIInChI=1S/C14H9F4NO/c15-9-4-5-10(11(16)7-9)13(8-20-13)14(17,18)12-3-1-2-6-19-12/h1-7H,8H2
InChIKeyBCMOKDBAQGMQLW-UHFFFAOYSA-N
XLogP3.38
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine (CID 10850521) is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine is Fc1ccc(C2(C(F)(F)c3ccccn3)CO2)c(F)c1.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
The InChIKey is BCMOKDBAQGMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c15-9-4-5-10(11(16)7-9)13(8-20-13)14(17,18)12-3-1-2-6-19-12/h1-7H,8H2.
What are the key properties of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine?
2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine has a molecular weight of 283.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine is sourced from PubChem (CID 10850521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).