(6-chloro-5-fluoroindol-1-yl) acetate

C10H7ClFNO2 — CID 139627377

IUPAC(6-chloro-5-fluoroindol-1-yl) acetate
SMILESCC(=O)On1ccc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H7ClFNO2/c1-6(14)15-13-3-2-7-4-9(12)8(11)5-10(7)13/h2-5H,1H3
InChIKeyCWLFMNMWXRSDGM-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.41
Rot. Bonds1

About (6-chloro-5-fluoroindol-1-yl) acetate

(6-chloro-5-fluoroindol-1-yl) acetate (PubChem CID 139627377) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is (6-chloro-5-fluoroindol-1-yl) acetate.

Molecular Properties

Compound Name(6-chloro-5-fluoroindol-1-yl) acetate
PubChem CID139627377
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name(6-chloro-5-fluoroindol-1-yl) acetate
SMILESCC(=O)On1ccc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H7ClFNO2/c1-6(14)15-13-3-2-7-4-9(12)8(11)5-10(7)13/h2-5H,1H3
InChIKeyCWLFMNMWXRSDGM-UHFFFAOYSA-N
XLogP2.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-fluoroindol-1-yl) acetate?
The IUPAC name of (6-chloro-5-fluoroindol-1-yl) acetate (CID 139627377) is (6-chloro-5-fluoroindol-1-yl) acetate.
What is the SMILES notation for (6-chloro-5-fluoroindol-1-yl) acetate?
The canonical SMILES for (6-chloro-5-fluoroindol-1-yl) acetate is CC(=O)On1ccc2cc(F)c(Cl)cc21.
What is the InChIKey of (6-chloro-5-fluoroindol-1-yl) acetate?
The InChIKey is CWLFMNMWXRSDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-6(14)15-13-3-2-7-4-9(12)8(11)5-10(7)13/h2-5H,1H3.
What are the key properties of (6-chloro-5-fluoroindol-1-yl) acetate?
(6-chloro-5-fluoroindol-1-yl) acetate has a molecular weight of 227.62 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoroindol-1-yl) acetate is sourced from PubChem (CID 139627377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).