7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene

C24H15F3O — CID 134473369

IUPAC7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene
SMILESCCOc1ccc2c(c1F)-c1c-2cc(-c2ccc3ccccc3c2)c(F)c1F
InChIInChI=1S/C24H15F3O/c1-2-28-19-10-9-16-18-12-17(22(25)24(27)21(18)20(16)23(19)26)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
InChIKeyFXEQWFVZNNYDHP-UHFFFAOYSA-N
MW376.38 g/mol
LogP6.97
Rot. Bonds3

About 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene

7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene (PubChem CID 134473369) has the molecular formula C24H15F3O and a molecular weight of 376.38 g/mol. Its IUPAC name is 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene.

Molecular Properties

Compound Name7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene
PubChem CID134473369
Molecular FormulaC24H15F3O
Molecular Weight376.38 g/mol
Exact Mass376.11
IUPAC Name7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene
SMILESCCOc1ccc2c(c1F)-c1c-2cc(-c2ccc3ccccc3c2)c(F)c1F
InChIInChI=1S/C24H15F3O/c1-2-28-19-10-9-16-18-12-17(22(25)24(27)21(18)20(16)23(19)26)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
InChIKeyFXEQWFVZNNYDHP-UHFFFAOYSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
CID 22008080
4-[6-(4-ethoxy-2,3-difluorophenyl)naphthalen-2-yl]cyclohexan-1-amine
CID 163630418
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
CID 134473123
1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436006
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
2-ethoxy-1-[2-ethoxy-6-[6-ethoxy-5-(2-ethoxynaphthalen-1-yl)naphthalen-2-yl]naphthalen-1-yl]-6-iodonaphthalene
CID 10974840
1-ethoxy-2,3-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 19436318
2-(2,4-difluorophenyl)naphthalene
CID 57155988
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
1-(2,3-difluoro-4-propylsulfanylphenyl)-4-ethoxy-2,3-difluorobenzene
CID 167433414
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene?
The IUPAC name of 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene (CID 134473369) is 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene.
What is the SMILES notation for 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene?
The canonical SMILES for 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene is CCOc1ccc2c(c1F)-c1c-2cc(-c2ccc3ccccc3c2)c(F)c1F.
What is the InChIKey of 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene?
The InChIKey is FXEQWFVZNNYDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3O/c1-2-28-19-10-9-16-18-12-17(22(25)24(27)21(18)20(16)23(19)26)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3.
What are the key properties of 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene?
7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene has a molecular weight of 376.38 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene is sourced from PubChem (CID 134473369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).