4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine

C20H18FNO2 — CID 118263533

IUPAC4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine
SMILESCOc1ccc(-c2ccc(C(F)c3ccncc3)cc2)cc1OC
InChIInChI=1S/C20H18FNO2/c1-23-18-8-7-17(13-19(18)24-2)14-3-5-15(6-4-14)20(21)16-9-11-22-12-10-16/h3-13,20H,1-2H3
InChIKeyZFQPWRVHKVTTQZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.82
Rot. Bonds5

About 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine

4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine (PubChem CID 118263533) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine.

Molecular Properties

Compound Name4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine
PubChem CID118263533
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine
SMILESCOc1ccc(-c2ccc(C(F)c3ccncc3)cc2)cc1OC
InChIInChI=1S/C20H18FNO2/c1-23-18-8-7-17(13-19(18)24-2)14-3-5-15(6-4-14)20(21)16-9-11-22-12-10-16/h3-13,20H,1-2H3
InChIKeyZFQPWRVHKVTTQZ-UHFFFAOYSA-N
XLogP4.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine?
The IUPAC name of 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine (CID 118263533) is 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine.
What is the SMILES notation for 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine?
The canonical SMILES for 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine is COc1ccc(-c2ccc(C(F)c3ccncc3)cc2)cc1OC.
What is the InChIKey of 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine?
The InChIKey is ZFQPWRVHKVTTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-23-18-8-7-17(13-19(18)24-2)14-3-5-15(6-4-14)20(21)16-9-11-22-12-10-16/h3-13,20H,1-2H3.
What are the key properties of 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine?
4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine has a molecular weight of 323.37 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dimethoxyphenyl)phenyl]-fluoromethyl]pyridine is sourced from PubChem (CID 118263533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).