2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid

C25H20F3NO3 — CID 22669773

IUPAC2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
SMILESCc1cc(C(F)(F)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C25H20F3NO3/c1-14-9-18(25(27,28)24(30)31)10-15(2)23(14)32-20-7-8-22-21(12-20)17(13-29-22)11-16-3-5-19(26)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,30,31)
InChIKeySAYQVEHQXYKZAB-UHFFFAOYSA-N
MW439.43 g/mol
LogP6.48
Rot. Bonds6

About 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid

2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid (PubChem CID 22669773) has the molecular formula C25H20F3NO3 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
PubChem CID22669773
Molecular FormulaC25H20F3NO3
Molecular Weight439.43 g/mol
Exact Mass439.14
IUPAC Name2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
SMILESCc1cc(C(F)(F)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C25H20F3NO3/c1-14-9-18(25(27,28)24(30)31)10-15(2)23(14)32-20-7-8-22-21(12-20)17(13-29-22)11-16-3-5-19(26)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,30,31)
InChIKeySAYQVEHQXYKZAB-UHFFFAOYSA-N
XLogP6.48
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid 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

2-[3,5-dibromo-4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]phenyl]-2,2-difluoroacetic acid
CID 22669889
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
CID 22669811
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669727
2-[3-bromo-4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenyl]acetic acid
CID 22669391
2-[4-[(3-hexyl-1H-indol-5-yl)oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669793
2-[3,5-dimethyl-4-[[3-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indol-5-yl]oxy]phenoxy]acetic acid
CID 22669411
4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
CID 141126761
2-[3-methyl-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669490
2-[4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669887
2-[4-[(3-butyl-1H-indol-5-yl)oxy]-3-chloro-5-methylphenoxy]acetic acid
CID 22669547
N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
CID 142086189
ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide
CID 142086448

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid (CID 22669773) is 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid is Cc1cc(C(F)(F)C(=O)O)cc(C)c1Oc1ccc2[nH]cc(Cc3ccc(F)cc3)c2c1.
What is the InChIKey of 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
The InChIKey is SAYQVEHQXYKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO3/c1-14-9-18(25(27,28)24(30)31)10-15(2)23(14)32-20-7-8-22-21(12-20)17(13-29-22)11-16-3-5-19(26)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,30,31).
What are the key properties of 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid?
2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid has a molecular weight of 439.43 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-[[3-[(4-fluorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid is sourced from PubChem (CID 22669773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).