4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

C14H10BrF4NO2 — CID 130362357

IUPAC4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESO=C(O)c1cc(F)c(Br)c2c3c([nH]c12)CC(C(F)(F)F)CC3
InChIInChI=1S/C14H10BrF4NO2/c15-11-8(16)4-7(13(21)22)12-10(11)6-2-1-5(14(17,18)19)3-9(6)20-12/h4-5,20H,1-3H2,(H,21,22)
InChIKeyFDJUNHZEDUXPJE-UHFFFAOYSA-N
MW380.14 g/mol
LogP4.43
Rot. Bonds1

About 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (PubChem CID 130362357) has the molecular formula C14H10BrF4NO2 and a molecular weight of 380.14 g/mol. Its IUPAC name is 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
PubChem CID130362357
Molecular FormulaC14H10BrF4NO2
Molecular Weight380.14 g/mol
Exact Mass378.98
IUPAC Name4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESO=C(O)c1cc(F)c(Br)c2c3c([nH]c12)CC(C(F)(F)F)CC3
InChIInChI=1S/C14H10BrF4NO2/c15-11-8(16)4-7(13(21)22)12-10(11)6-2-1-5(14(17,18)19)3-9(6)20-12/h4-5,20H,1-3H2,(H,21,22)
InChIKeyFDJUNHZEDUXPJE-UHFFFAOYSA-N
XLogP4.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic 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-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The IUPAC name of 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (CID 130362357) is 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.
What is the SMILES notation for 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The canonical SMILES for 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is O=C(O)c1cc(F)c(Br)c2c3c([nH]c12)CC(C(F)(F)F)CC3.
What is the InChIKey of 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The InChIKey is FDJUNHZEDUXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO2/c15-11-8(16)4-7(13(21)22)12-10(11)6-2-1-5(14(17,18)19)3-9(6)20-12/h4-5,20H,1-3H2,(H,21,22).
What are the key properties of 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid has a molecular weight of 380.14 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is sourced from PubChem (CID 130362357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).