2-(3-chloroindol-1-yl)-2-fluoroacetic acid

C10H7ClFNO2 — CID 81298506

IUPAC2-(3-chloroindol-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cc(Cl)c2ccccc21
InChIInChI=1S/C10H7ClFNO2/c11-7-5-13(9(12)10(14)15)8-4-2-1-3-6(7)8/h1-5,9H,(H,14,15)
InChIKeyRMVJWGOHBISKEZ-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.85
Rot. Bonds2

About 2-(3-chloroindol-1-yl)-2-fluoroacetic acid

2-(3-chloroindol-1-yl)-2-fluoroacetic acid (PubChem CID 81298506) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 2-(3-chloroindol-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloroindol-1-yl)-2-fluoroacetic acid
PubChem CID81298506
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name2-(3-chloroindol-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cc(Cl)c2ccccc21
InChIInChI=1S/C10H7ClFNO2/c11-7-5-13(9(12)10(14)15)8-4-2-1-3-6(7)8/h1-5,9H,(H,14,15)
InChIKeyRMVJWGOHBISKEZ-UHFFFAOYSA-N
XLogP2.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroindol-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-chloroindol-1-yl)-2-fluoroacetic acid (CID 81298506) is 2-(3-chloroindol-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-chloroindol-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-chloroindol-1-yl)-2-fluoroacetic acid is O=C(O)C(F)n1cc(Cl)c2ccccc21.
What is the InChIKey of 2-(3-chloroindol-1-yl)-2-fluoroacetic acid?
The InChIKey is RMVJWGOHBISKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-7-5-13(9(12)10(14)15)8-4-2-1-3-6(7)8/h1-5,9H,(H,14,15).
What are the key properties of 2-(3-chloroindol-1-yl)-2-fluoroacetic acid?
2-(3-chloroindol-1-yl)-2-fluoroacetic acid has a molecular weight of 227.62 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroindol-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).