1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene

C42H28F2O6 — CID 22338502

IUPAC1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
SMILESFc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1F
InChIInChI=1S/C42H28F2O6/c43-29-15-1-3-17-31(29)45-33-19-5-7-21-35(33)47-37-23-9-11-25-39(37)49-41-27-13-14-28-42(41)50-40-26-12-10-24-38(40)48-36-22-8-6-20-34(36)46-32-18-4-2-16-30(32)44/h1-28H
InChIKeyUCBHLBCJVCTPTA-UHFFFAOYSA-N
MW666.68 g/mol
LogP12.72
Rot. Bonds12

About 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene

1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene (PubChem CID 22338502) has the molecular formula C42H28F2O6 and a molecular weight of 666.68 g/mol. Its IUPAC name is 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene.

Molecular Properties

Compound Name1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
PubChem CID22338502
Molecular FormulaC42H28F2O6
Molecular Weight666.68 g/mol
Exact Mass666.19
IUPAC Name1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
SMILESFc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1F
InChIInChI=1S/C42H28F2O6/c43-29-15-1-3-17-31(29)45-33-19-5-7-21-35(33)47-37-23-9-11-25-39(37)49-41-27-13-14-28-42(41)50-40-26-12-10-24-38(40)48-36-22-8-6-20-34(36)46-32-18-4-2-16-30(32)44/h1-28H
InChIKeyUCBHLBCJVCTPTA-UHFFFAOYSA-N
XLogP12.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.68
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
1,2,3,4-tetrafluoro-5-(2-fluorophenoxy)benzene
CID 90981394
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
2-(2-fluorophenoxy)-6-methylphenol
CID 20513456
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
[2-(2-fluorophenoxy)phenyl]methylidenehydrazine
CID 168531027
(2-fluorophenyl) hypoiodite
CID 130349646
CID 175337896
CID 175337896
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
3-amino-4-(2-fluorophenoxy)phenol
CID 14722258

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene?
The IUPAC name of 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene (CID 22338502) is 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene.
What is the SMILES notation for 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene?
The canonical SMILES for 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene is Fc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1Oc1ccccc1F.
What is the InChIKey of 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene?
The InChIKey is UCBHLBCJVCTPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F2O6/c43-29-15-1-3-17-31(29)45-33-19-5-7-21-35(33)47-37-23-9-11-25-39(37)49-41-27-13-14-28-42(41)50-40-26-12-10-24-38(40)48-36-22-8-6-20-34(36)46-32-18-4-2-16-30(32)44/h1-28H.
What are the key properties of 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene?
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene has a molecular weight of 666.68 g/mol, XLogP of 12.72, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene is sourced from PubChem (CID 22338502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).