1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

C15H14F2O — CID 54013323

IUPAC1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2O/c1-2-18-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15H,2H2,1H3
InChIKeyTXPIOUDJVYMXBK-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.09
Rot. Bonds4

About 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 54013323) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID54013323
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESCCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2O/c1-2-18-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15H,2H2,1H3
InChIKeyTXPIOUDJVYMXBK-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene (CID 54013323) is 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene is CCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is TXPIOUDJVYMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-2-18-15(11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,15H,2H2,1H3.
What are the key properties of 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 248.27 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 54013323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).