2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane

C22H21F3O — CID 142330852

IUPAC2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
SMILESCC.COc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)c(F)c1F
InChIInChI=1S/C20H15F3O.C2H6/c1-12-3-5-13(6-4-12)14-7-8-15(17(21)11-14)16-9-10-18(24-2)20(23)19(16)22;1-2/h3-11H,1-2H3;1-2H3
InChIKeyVVVVAOTYHIYOEN-UHFFFAOYSA-N
MW358.40 g/mol
LogP6.78
Rot. Bonds3

About 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane

2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane (PubChem CID 142330852) has the molecular formula C22H21F3O and a molecular weight of 358.40 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane.

Molecular Properties

Compound Name2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
PubChem CID142330852
Molecular FormulaC22H21F3O
Molecular Weight358.40 g/mol
Exact Mass358.15
IUPAC Name2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane
SMILESCC.COc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)c(F)c1F
InChIInChI=1S/C20H15F3O.C2H6/c1-12-3-5-13(6-4-12)14-7-8-15(17(21)11-14)16-9-10-18(24-2)20(23)19(16)22;1-2/h3-11H,1-2H3;1-2H3
InChIKeyVVVVAOTYHIYOEN-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
2,3-difluoro-1-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-4-methoxybenzene
CID 70820083
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)
CID 159688395
2-(2,3-difluoro-4-methoxyphenyl)-5-(4-methoxyphenyl)thiophene
CID 141443240
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane?
The IUPAC name of 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane (CID 142330852) is 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane.
What is the SMILES notation for 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane?
The canonical SMILES for 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane is CC.COc1ccc(-c2ccc(-c3ccc(C)cc3)cc2F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane?
The InChIKey is VVVVAOTYHIYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O.C2H6/c1-12-3-5-13(6-4-12)14-7-8-15(17(21)11-14)16-9-10-18(24-2)20(23)19(16)22;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane?
2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane has a molecular weight of 358.40 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methoxybenzene;ethane is sourced from PubChem (CID 142330852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).