3-(1-chloro-2-fluoroethyl)indol-2-one

C10H7ClFNO — CID 175017063

IUPAC3-(1-chloro-2-fluoroethyl)indol-2-one
SMILESO=C1N=c2ccccc2=C1C(Cl)CF
InChIInChI=1S/C10H7ClFNO/c11-7(5-12)9-6-3-1-2-4-8(6)13-10(9)14/h1-4,7H,5H2
InChIKeyAMNNTOXRLOOFDC-UHFFFAOYSA-N
MW211.62 g/mol
LogP0.57
Rot. Bonds2

About 3-(1-chloro-2-fluoroethyl)indol-2-one

3-(1-chloro-2-fluoroethyl)indol-2-one (PubChem CID 175017063) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 3-(1-chloro-2-fluoroethyl)indol-2-one.

Molecular Properties

Compound Name3-(1-chloro-2-fluoroethyl)indol-2-one
PubChem CID175017063
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name3-(1-chloro-2-fluoroethyl)indol-2-one
SMILESO=C1N=c2ccccc2=C1C(Cl)CF
InChIInChI=1S/C10H7ClFNO/c11-7(5-12)9-6-3-1-2-4-8(6)13-10(9)14/h1-4,7H,5H2
InChIKeyAMNNTOXRLOOFDC-UHFFFAOYSA-N
XLogP0.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-fluoroethyl)indol-2-one?
The IUPAC name of 3-(1-chloro-2-fluoroethyl)indol-2-one (CID 175017063) is 3-(1-chloro-2-fluoroethyl)indol-2-one.
What is the SMILES notation for 3-(1-chloro-2-fluoroethyl)indol-2-one?
The canonical SMILES for 3-(1-chloro-2-fluoroethyl)indol-2-one is O=C1N=c2ccccc2=C1C(Cl)CF.
What is the InChIKey of 3-(1-chloro-2-fluoroethyl)indol-2-one?
The InChIKey is AMNNTOXRLOOFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c11-7(5-12)9-6-3-1-2-4-8(6)13-10(9)14/h1-4,7H,5H2.
What are the key properties of 3-(1-chloro-2-fluoroethyl)indol-2-one?
3-(1-chloro-2-fluoroethyl)indol-2-one has a molecular weight of 211.62 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-fluoroethyl)indol-2-one is sourced from PubChem (CID 175017063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).