4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione

C10H6ClF2NO2 — CID 61357943

IUPAC4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(F)F)c2cccc(Cl)c21
InChIInChI=1S/C10H6ClF2NO2/c11-5-2-1-3-6-8(5)9(15)10(16)14(6)4-7(12)13/h1-3,7H,4H2
InChIKeyCEUZJWIFUHIAQJ-UHFFFAOYSA-N
MW245.61 g/mol
LogP2.13
Rot. Bonds2

About 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione

4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione (PubChem CID 61357943) has the molecular formula C10H6ClF2NO2 and a molecular weight of 245.61 g/mol. Its IUPAC name is 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
PubChem CID61357943
Molecular FormulaC10H6ClF2NO2
Molecular Weight245.61 g/mol
Exact Mass245.01
IUPAC Name4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC(F)F)c2cccc(Cl)c21
InChIInChI=1S/C10H6ClF2NO2/c11-5-2-1-3-6-8(5)9(15)10(16)14(6)4-7(12)13/h1-3,7H,4H2
InChIKeyCEUZJWIFUHIAQJ-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.61
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione 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

4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
CID 103038332
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
4-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61359890
2-(4-chloro-2,3-dioxoindol-1-yl)-N,N-dimethylacetamide
CID 61358149
2-(4-chloro-2,3-dioxoindol-1-yl)acetohydrazide
CID 63580023
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
CID 61357369
4-chloro-1-(3-methylsulfonylpropyl)indole-2,3-dione
CID 63191185
N-butan-2-yl-2-(4-chloro-2,3-dioxoindol-1-yl)acetamide
CID 61357562
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-chloroindole-2,3-dione
CID 65008202
4-chloro-1-[(2-chloro-1,3-thiazol-5-yl)methyl]indole-2,3-dione
CID 79764849
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloroindole-2,3-dione
CID 65001177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione?
The IUPAC name of 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione (CID 61357943) is 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione is O=C1C(=O)N(CC(F)F)c2cccc(Cl)c21.
What is the InChIKey of 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione?
The InChIKey is CEUZJWIFUHIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2NO2/c11-5-2-1-3-6-8(5)9(15)10(16)14(6)4-7(12)13/h1-3,7H,4H2.
What are the key properties of 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione?
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione has a molecular weight of 245.61 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione is sourced from PubChem (CID 61357943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).