4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol

C22H15F5O2 — CID 134473123

IUPAC4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
SMILESCCOc1ccc2c(c1F)-c1c-2cc(CCc2ccc(O)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H15F5O2/c1-2-29-15-8-6-12-13-9-11(19(24)22(27)17(13)16(12)21(15)26)4-3-10-5-7-14(28)20(25)18(10)23/h5-9,28H,2-4H2,1H3
InChIKeyGFFULEDKWPIVGF-UHFFFAOYSA-N
MW406.35 g/mol
LogP5.92
Rot. Bonds5

About 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol

4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol (PubChem CID 134473123) has the molecular formula C22H15F5O2 and a molecular weight of 406.35 g/mol. Its IUPAC name is 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
PubChem CID134473123
Molecular FormulaC22H15F5O2
Molecular Weight406.35 g/mol
Exact Mass406.10
IUPAC Name4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
SMILESCCOc1ccc2c(c1F)-c1c-2cc(CCc2ccc(O)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H15F5O2/c1-2-29-15-8-6-12-13-9-11(19(24)22(27)17(13)16(12)21(15)26)4-3-10-5-7-14(28)20(25)18(10)23/h5-9,28H,2-4H2,1H3
InChIKeyGFFULEDKWPIVGF-UHFFFAOYSA-N
XLogP5.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.35
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2-methyloxane
CID 134478949
3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
CID 134473056
1,2,8-trifluoro-7-[(4-pentylcyclohexyl)methoxy]-3-propylbiphenylene
CID 134465089
4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol
CID 88893763
2,3-difluoro-4-propylphenol
CID 14495704
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]oxymethyl]-2,3-difluorophenol
CID 88857177
7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene
CID 134473369
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328
1-(4,6-difluorohex-3-enyl)-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 118320421
1-[2,3-difluoro-4-(7-fluorohept-3-enyl)phenyl]-4-ethoxy-2,3-difluorobenzene
CID 123767664

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol?
The IUPAC name of 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol (CID 134473123) is 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol.
What is the SMILES notation for 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol?
The canonical SMILES for 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol is CCOc1ccc2c(c1F)-c1c-2cc(CCc2ccc(O)c(F)c2F)c(F)c1F.
What is the InChIKey of 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol?
The InChIKey is GFFULEDKWPIVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5O2/c1-2-29-15-8-6-12-13-9-11(19(24)22(27)17(13)16(12)21(15)26)4-3-10-5-7-14(28)20(25)18(10)23/h5-9,28H,2-4H2,1H3.
What are the key properties of 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol?
4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol has a molecular weight of 406.35 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol is sourced from PubChem (CID 134473123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).