2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine

C20H17F2NO — CID 67649607

IUPAC2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine
SMILESFc1ccc(C(OCCc2ccccn2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17F2NO/c21-17-8-4-15(5-9-17)20(16-6-10-18(22)11-7-16)24-14-12-19-3-1-2-13-23-19/h1-11,13,20H,12,14H2
InChIKeyRWQNEWALARSCOE-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.71
Rot. Bonds6

About 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine

2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine (PubChem CID 67649607) has the molecular formula C20H17F2NO and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine
PubChem CID67649607
Molecular FormulaC20H17F2NO
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine
SMILESFc1ccc(C(OCCc2ccccn2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17F2NO/c21-17-8-4-15(5-9-17)20(16-6-10-18(22)11-7-16)24-14-12-19-3-1-2-13-23-19/h1-11,13,20H,12,14H2
InChIKeyRWQNEWALARSCOE-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine (CID 67649607) is 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine is Fc1ccc(C(OCCc2ccccn2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine?
The InChIKey is RWQNEWALARSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO/c21-17-8-4-15(5-9-17)20(16-6-10-18(22)11-7-16)24-14-12-19-3-1-2-13-23-19/h1-11,13,20H,12,14H2.
What are the key properties of 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine?
2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine has a molecular weight of 325.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyridine is sourced from PubChem (CID 67649607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).