7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one

C12H9ClFNO — CID 67377734

IUPAC7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1cc(Cl)c(F)cc21
InChIInChI=1S/C12H9ClFNO/c13-8-5-10-7(4-9(8)14)6-2-1-3-11(16)12(6)15-10/h4-5,15H,1-3H2
InChIKeyFJRRRQUEODKDFF-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.48
Rot. Bonds

About 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one

7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 67377734) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID67377734
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1cc(Cl)c(F)cc21
InChIInChI=1S/C12H9ClFNO/c13-8-5-10-7(4-9(8)14)6-2-1-3-11(16)12(6)15-10/h4-5,15H,1-3H2
InChIKeyFJRRRQUEODKDFF-UHFFFAOYSA-N
XLogP3.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one 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 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one (CID 67377734) is 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one is O=C1CCCc2c1[nH]c1cc(Cl)c(F)cc21.
What is the InChIKey of 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is FJRRRQUEODKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-8-5-10-7(4-9(8)14)6-2-1-3-11(16)12(6)15-10/h4-5,15H,1-3H2.
What are the key properties of 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one?
7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 237.66 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 67377734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).