4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid

C17H19F4NO2 — CID 151797014

IUPAC4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid
SMILESCCC(CCC(=O)O)C1(C)C(C)=Nc2cc(F)cc(C(F)(F)F)c21
InChIInChI=1S/C17H19F4NO2/c1-4-10(5-6-14(23)24)16(3)9(2)22-13-8-11(18)7-12(15(13)16)17(19,20)21/h7-8,10H,4-6H2,1-3H3,(H,23,24)
InChIKeyRXUUDWPDMGQLKE-UHFFFAOYSA-N
MW345.34 g/mol
LogP5.10
Rot. Bonds5

About 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid

4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid (PubChem CID 151797014) has the molecular formula C17H19F4NO2 and a molecular weight of 345.34 g/mol. Its IUPAC name is 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid.

Molecular Properties

Compound Name4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid
PubChem CID151797014
Molecular FormulaC17H19F4NO2
Molecular Weight345.34 g/mol
Exact Mass345.14
IUPAC Name4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid
SMILESCCC(CCC(=O)O)C1(C)C(C)=Nc2cc(F)cc(C(F)(F)F)c21
InChIInChI=1S/C17H19F4NO2/c1-4-10(5-6-14(23)24)16(3)9(2)22-13-8-11(18)7-12(15(13)16)17(19,20)21/h7-8,10H,4-6H2,1-3H3,(H,23,24)
InChIKeyRXUUDWPDMGQLKE-UHFFFAOYSA-N
XLogP5.10
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.34
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic 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 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid?
The IUPAC name of 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid (CID 151797014) is 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid.
What is the SMILES notation for 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid?
The canonical SMILES for 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid is CCC(CCC(=O)O)C1(C)C(C)=Nc2cc(F)cc(C(F)(F)F)c21.
What is the InChIKey of 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid?
The InChIKey is RXUUDWPDMGQLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4NO2/c1-4-10(5-6-14(23)24)16(3)9(2)22-13-8-11(18)7-12(15(13)16)17(19,20)21/h7-8,10H,4-6H2,1-3H3,(H,23,24).
What are the key properties of 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid?
4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid has a molecular weight of 345.34 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-2,3-dimethyl-4-(trifluoromethyl)indol-3-yl]hexanoic acid is sourced from PubChem (CID 151797014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).