1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene

C21H16F4O — CID 67798587

IUPAC1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC(F)F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C21H16F4O/c1-2-13-3-5-14(6-4-13)15-7-9-17(18(22)11-15)16-8-10-20(19(23)12-16)26-21(24)25/h3-12,21H,2H2,1H3
InChIKeyPADQBHSHZGXDQP-UHFFFAOYSA-N
MW360.35 g/mol
LogP6.46
Rot. Bonds5

About 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene

1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene (PubChem CID 67798587) has the molecular formula C21H16F4O and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
PubChem CID67798587
Molecular FormulaC21H16F4O
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC Name1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC(F)F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C21H16F4O/c1-2-13-3-5-14(6-4-13)15-7-9-17(18(22)11-15)16-8-10-20(19(23)12-16)26-21(24)25/h3-12,21H,2H2,1H3
InChIKeyPADQBHSHZGXDQP-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.35
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-octoxyphenyl)phenyl]benzene
CID 67798957
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-heptoxyphenyl)phenyl]benzene
CID 67799885
4-(4-but-3-enylphenyl)-1-(difluoromethoxy)-2-fluorobenzene
CID 139764168
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
N-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-1-(4-ethylphenyl)methanimine
CID 54572346
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
CID 170132292
4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
CID 140891747
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene (CID 67798587) is 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene is CCc1ccc(-c2ccc(-c3ccc(OC(F)F)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene?
The InChIKey is PADQBHSHZGXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4O/c1-2-13-3-5-14(6-4-13)15-7-9-17(18(22)11-15)16-8-10-20(19(23)12-16)26-21(24)25/h3-12,21H,2H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene?
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene has a molecular weight of 360.35 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene is sourced from PubChem (CID 67798587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).