3-ethoxy-1,8-difluorobiphenylene

C14H10F2O — CID 139776697

IUPAC3-ethoxy-1,8-difluorobiphenylene
SMILESCCOc1cc(F)c2c(c1)=c1cccc(F)c1=2
InChIInChI=1S/C14H10F2O/c1-2-17-8-6-10-9-4-3-5-11(15)13(9)14(10)12(16)7-8/h3-7H,2H2,1H3
InChIKeyXYXFILPHUOITMD-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.25
Rot. Bonds2

About 3-ethoxy-1,8-difluorobiphenylene

3-ethoxy-1,8-difluorobiphenylene (PubChem CID 139776697) has the molecular formula C14H10F2O and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-ethoxy-1,8-difluorobiphenylene.

Molecular Properties

Compound Name3-ethoxy-1,8-difluorobiphenylene
PubChem CID139776697
Molecular FormulaC14H10F2O
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name3-ethoxy-1,8-difluorobiphenylene
SMILESCCOc1cc(F)c2c(c1)=c1cccc(F)c1=2
InChIInChI=1S/C14H10F2O/c1-2-17-8-6-10-9-4-3-5-11(15)13(9)14(10)12(16)7-8/h3-7H,2H2,1H3
InChIKeyXYXFILPHUOITMD-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-Dimethoxybiphenylene
CID 11287311
3-Fluoro-8-methoxytricyclo[4.2.2.22,5]dodeca-1,3,5,7,9,11-hexaene
CID 56607643
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
Lithium 1-ethoxy-3-(trifluoromethyl)benzene-2-ide
CID 88361979
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
(5E)-5-[(Z)-1-methoxybut-2-enylidene]-6-methylidene-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89785782
2-Ethoxy-1-fluorocyclohexa-1,3-diene
CID 89812511
1,6-Difluoro-2-methoxy-5-methylidenecyclohexa-1,3-diene
CID 123722385
1,6-Difluoro-2-propan-2-yloxycyclohexa-1,3-diene
CID 129113003
1-fluoro-3-[[(3E,5Z)-octa-1,3,5-trien-4-yl]oxymethyl]cyclohexa-1,3-diene
CID 134389449
2-Ethoxy-5-fluorocyclohexa-1,3-diene
CID 143106657

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,8-difluorobiphenylene?
The IUPAC name of 3-ethoxy-1,8-difluorobiphenylene (CID 139776697) is 3-ethoxy-1,8-difluorobiphenylene.
What is the SMILES notation for 3-ethoxy-1,8-difluorobiphenylene?
The canonical SMILES for 3-ethoxy-1,8-difluorobiphenylene is CCOc1cc(F)c2c(c1)=c1cccc(F)c1=2.
What is the InChIKey of 3-ethoxy-1,8-difluorobiphenylene?
The InChIKey is XYXFILPHUOITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O/c1-2-17-8-6-10-9-4-3-5-11(15)13(9)14(10)12(16)7-8/h3-7H,2H2,1H3.
What are the key properties of 3-ethoxy-1,8-difluorobiphenylene?
3-ethoxy-1,8-difluorobiphenylene has a molecular weight of 232.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,8-difluorobiphenylene is sourced from PubChem (CID 139776697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).