2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C20H17F3O4 — CID 24985730

IUPAC2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCC(=O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CC[C@H]2CC(=O)O
InChIInChI=1S/C20H17F3O4/c1-11(24)17-10-14(20(21,22)23)4-7-18(17)27-15-5-6-16-12(8-15)2-3-13(16)9-19(25)26/h4-8,10,13H,2-3,9H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyMYOPTDVEGOFZQC-ZDUSSCGKSA-N
MW378.35 g/mol
LogP5.20
Rot. Bonds5

About 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 24985730) has the molecular formula C20H17F3O4 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
PubChem CID24985730
Molecular FormulaC20H17F3O4
Molecular Weight378.35 g/mol
Exact Mass378.11
IUPAC Name2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
SMILESCC(=O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CC[C@H]2CC(=O)O
InChIInChI=1S/C20H17F3O4/c1-11(24)17-10-14(20(21,22)23)4-7-18(17)27-15-5-6-16-12(8-15)2-3-13(16)9-19(25)26/h4-8,10,13H,2-3,9H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyMYOPTDVEGOFZQC-ZDUSSCGKSA-N
XLogP5.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]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

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The IUPAC name of 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 24985730) is 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The canonical SMILES for 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is CC(=O)c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)CC[C@H]2CC(=O)O.
What is the InChIKey of 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
The InChIKey is MYOPTDVEGOFZQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17F3O4/c1-11(24)17-10-14(20(21,22)23)4-7-18(17)27-15-5-6-16-12(8-15)2-3-13(16)9-19(25)26/h4-8,10,13H,2-3,9H2,1H3,(H,25,26)/t13-/m0/s1.
What are the key properties of 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?
2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 378.35 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5-[2-acetyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 24985730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).