7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid

C16H14BrClO3 — CID 161440161

IUPAC7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
SMILESCC(=O)C1CCC2=C(Cc3c(C(=O)O)cc(Cl)c(Br)c32)C1
InChIInChI=1S/C16H14BrClO3/c1-7(19)8-2-3-10-9(4-8)5-11-12(16(20)21)6-13(18)15(17)14(10)11/h6,8H,2-5H2,1H3,(H,20,21)
InChIKeyGRMQBDGESLACOD-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.50
Rot. Bonds2

About 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid

7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid (PubChem CID 161440161) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid.

Molecular Properties

Compound Name7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
PubChem CID161440161
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
SMILESCC(=O)C1CCC2=C(Cc3c(C(=O)O)cc(Cl)c(Br)c32)C1
InChIInChI=1S/C16H14BrClO3/c1-7(19)8-2-3-10-9(4-8)5-11-12(16(20)21)6-13(18)15(17)14(10)11/h6,8H,2-5H2,1H3,(H,20,21)
InChIKeyGRMQBDGESLACOD-UHFFFAOYSA-N
XLogP4.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-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

Related Compounds

7-acetyl-4-bromo-3-chloro-7-methyl-5,6,8,9-tetrahydrofluorene-1-carboxylic acid;formaldehyde
CID 157313634
4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide
CID 149293643
4-bromo-7-cyano-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
CID 149154027
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
1-(3-methylidenecyclopentyl)ethanone
CID 556899
4-bromo-5-chloro-2-fluoro-3-methylbenzoic acid
CID 146235171
3,4-dibromo-5-chlorobenzoic acid
CID 81429193
5-acetyl-4,5,6,7-tetrahydro-2-benzofuran-1,3-dione
CID 54015301
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
4-bromo-5-chloro-2,3-dimethyl-1H-indole-7-carboxylic acid
CID 121293830
(3R)-5,6-dichloro-2-hydroxy-3-(2-oxopropyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 148519678
N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide
CID 155244466

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid?
The IUPAC name of 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid (CID 161440161) is 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid.
What is the SMILES notation for 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid?
The canonical SMILES for 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid is CC(=O)C1CCC2=C(Cc3c(C(=O)O)cc(Cl)c(Br)c32)C1.
What is the InChIKey of 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid?
The InChIKey is GRMQBDGESLACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-7(19)8-2-3-10-9(4-8)5-11-12(16(20)21)6-13(18)15(17)14(10)11/h6,8H,2-5H2,1H3,(H,20,21).
What are the key properties of 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid?
7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid has a molecular weight of 369.64 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid is sourced from PubChem (CID 161440161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).