1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

C26H18F4O — CID 53473155

IUPAC1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(OC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H18F4O/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)31-26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-26H
InChIKeyWNEUDTAHYHQWKQ-UHFFFAOYSA-N
MW422.42 g/mol
LogP7.14
Rot. Bonds6

About 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 53473155) has the molecular formula C26H18F4O and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID53473155
Molecular FormulaC26H18F4O
Molecular Weight422.42 g/mol
Exact Mass422.13
IUPAC Name1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(OC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H18F4O/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)31-26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-26H
InChIKeyWNEUDTAHYHQWKQ-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene (CID 53473155) is 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene is Fc1ccc(C(OC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is WNEUDTAHYHQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4O/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)31-26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,25-26H.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 422.42 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methoxy-(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 53473155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).