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'}

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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).