2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine

C20H12F5NO — CID 58554526

IUPAC2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(C(F)(F)C3(c4ccc(F)cc4F)CO3)nc2)cc1
InChIInChI=1S/C20H12F5NO/c21-14-4-1-12(2-5-14)13-3-8-18(26-10-13)20(24,25)19(11-27-19)16-7-6-15(22)9-17(16)23/h1-10H,11H2
InChIKeyODTFTWSHXMFUNH-UHFFFAOYSA-N
MW377.31 g/mol
LogP5.18
Rot. Bonds4

About 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine

2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine (PubChem CID 58554526) has the molecular formula C20H12F5NO and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine
PubChem CID58554526
Molecular FormulaC20H12F5NO
Molecular Weight377.31 g/mol
Exact Mass377.08
IUPAC Name2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccc(C(F)(F)C3(c4ccc(F)cc4F)CO3)nc2)cc1
InChIInChI=1S/C20H12F5NO/c21-14-4-1-12(2-5-14)13-3-8-18(26-10-13)20(24,25)19(11-27-19)16-7-6-15(22)9-17(16)23/h1-10H,11H2
InChIKeyODTFTWSHXMFUNH-UHFFFAOYSA-N
XLogP5.18
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.31
LogP ≤ 55.18
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]-5-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine (CID 58554526) is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccc(C(F)(F)C3(c4ccc(F)cc4F)CO3)nc2)cc1.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine?
The InChIKey is ODTFTWSHXMFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5NO/c21-14-4-1-12(2-5-14)13-3-8-18(26-10-13)20(24,25)19(11-27-19)16-7-6-15(22)9-17(16)23/h1-10H,11H2.
What are the key properties of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine?
2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-5-(4-fluorophenyl)pyridine has a molecular weight of 377.31 g/mol, XLogP of 5.18, 4 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]-5-(4-fluorophenyl)pyridine is sourced from PubChem (CID 58554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).