2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid

C16H11ClFNO2 — CID 3904356

IUPAC2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2Cl)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H11ClFNO2/c17-13-4-2-1-3-10(13)16-12(8-15(20)21)11-7-9(18)5-6-14(11)19-16/h1-7,19H,8H2,(H,20,21)
InChIKeyIDTCHXINVQZOGU-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.25
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid

2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid (PubChem CID 3904356) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid
PubChem CID3904356
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2Cl)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H11ClFNO2/c17-13-4-2-1-3-10(13)16-12(8-15(20)21)11-7-9(18)5-6-14(11)19-16/h1-7,19H,8H2,(H,20,21)
InChIKeyIDTCHXINVQZOGU-UHFFFAOYSA-N
XLogP4.25
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid (CID 3904356) is 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2Cl)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid?
The InChIKey is IDTCHXINVQZOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-13-4-2-1-3-10(13)16-12(8-15(20)21)11-7-9(18)5-6-14(11)19-16/h1-7,19H,8H2,(H,20,21).
What are the key properties of 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid?
2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid has a molecular weight of 303.72 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5-fluoro-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3904356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).