1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene

C20H16F2O — CID 23391132

IUPAC1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(F)cc3)cc2F)cc1
InChIInChI=1S/C20H16F2O/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3
InChIKeyRWSGOZJECDLMCB-UHFFFAOYSA-N
MW310.34 g/mol
LogP5.70
Rot. Bonds4

About 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene

1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene (PubChem CID 23391132) has the molecular formula C20H16F2O and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene
PubChem CID23391132
Molecular FormulaC20H16F2O
Molecular Weight310.34 g/mol
Exact Mass310.12
IUPAC Name1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(F)cc3)cc2F)cc1
InChIInChI=1S/C20H16F2O/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3
InChIKeyRWSGOZJECDLMCB-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.34
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene?
The IUPAC name of 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene (CID 23391132) is 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene is CCOc1ccc(-c2ccc(-c3ccc(F)cc3)cc2F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene?
The InChIKey is RWSGOZJECDLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O/c1-2-23-18-10-5-15(6-11-18)19-12-7-16(13-20(19)22)14-3-8-17(21)9-4-14/h3-13H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene?
1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene has a molecular weight of 310.34 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-fluoro-4-(4-fluorophenyl)benzene is sourced from PubChem (CID 23391132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).