3-(1-chloroethyl)-4-fluoroindol-2-one

C10H7ClFNO — CID 174906606

IUPAC3-(1-chloroethyl)-4-fluoroindol-2-one
SMILESCC(Cl)C1=c2c(F)cccc2=NC1=O
InChIInChI=1S/C10H7ClFNO/c1-5(11)8-9-6(12)3-2-4-7(9)13-10(8)14/h2-5H,1H3
InChIKeyDIPHMGGRBNKSKL-UHFFFAOYSA-N
MW211.62 g/mol
LogP0.76
Rot. Bonds1

About 3-(1-chloroethyl)-4-fluoroindol-2-one

3-(1-chloroethyl)-4-fluoroindol-2-one (PubChem CID 174906606) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 3-(1-chloroethyl)-4-fluoroindol-2-one.

Molecular Properties

Compound Name3-(1-chloroethyl)-4-fluoroindol-2-one
PubChem CID174906606
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name3-(1-chloroethyl)-4-fluoroindol-2-one
SMILESCC(Cl)C1=c2c(F)cccc2=NC1=O
InChIInChI=1S/C10H7ClFNO/c1-5(11)8-9-6(12)3-2-4-7(9)13-10(8)14/h2-5H,1H3
InChIKeyDIPHMGGRBNKSKL-UHFFFAOYSA-N
XLogP0.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 50.76
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-chloroethyl)-4-fluoroindol-2-one?
The IUPAC name of 3-(1-chloroethyl)-4-fluoroindol-2-one (CID 174906606) is 3-(1-chloroethyl)-4-fluoroindol-2-one.
What is the SMILES notation for 3-(1-chloroethyl)-4-fluoroindol-2-one?
The canonical SMILES for 3-(1-chloroethyl)-4-fluoroindol-2-one is CC(Cl)C1=c2c(F)cccc2=NC1=O.
What is the InChIKey of 3-(1-chloroethyl)-4-fluoroindol-2-one?
The InChIKey is DIPHMGGRBNKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-5(11)8-9-6(12)3-2-4-7(9)13-10(8)14/h2-5H,1H3.
What are the key properties of 3-(1-chloroethyl)-4-fluoroindol-2-one?
3-(1-chloroethyl)-4-fluoroindol-2-one has a molecular weight of 211.62 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-4-fluoroindol-2-one is sourced from PubChem (CID 174906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).