1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene

C22H20F2O2 — CID 102107655

IUPAC1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene
SMILESCCOc1ccc(-c2cc(F)cc(F)c2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C22H20F2O2/c1-3-25-18-9-5-15(6-10-18)20-13-17(23)14-21(24)22(20)16-7-11-19(12-8-16)26-4-2/h5-14H,3-4H2,1-2H3
InChIKeyZEUNPANLDNMAMM-UHFFFAOYSA-N
MW354.40 g/mol
LogP6.10
Rot. Bonds6

About 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene

1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene (PubChem CID 102107655) has the molecular formula C22H20F2O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene
PubChem CID102107655
Molecular FormulaC22H20F2O2
Molecular Weight354.40 g/mol
Exact Mass354.14
IUPAC Name1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene
SMILESCCOc1ccc(-c2cc(F)cc(F)c2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C22H20F2O2/c1-3-25-18-9-5-15(6-10-18)20-13-17(23)14-21(24)22(20)16-7-11-19(12-8-16)26-4-2/h5-14H,3-4H2,1-2H3
InChIKeyZEUNPANLDNMAMM-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene?
The IUPAC name of 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene (CID 102107655) is 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene.
What is the SMILES notation for 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene?
The canonical SMILES for 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene is CCOc1ccc(-c2cc(F)cc(F)c2-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene?
The InChIKey is ZEUNPANLDNMAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2O2/c1-3-25-18-9-5-15(6-10-18)20-13-17(23)14-21(24)22(20)16-7-11-19(12-8-16)26-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene?
1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene has a molecular weight of 354.40 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-ethoxyphenyl)-3,5-difluorobenzene is sourced from PubChem (CID 102107655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).