2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid

C16H10ClF2NO2 — CID 70560769

IUPAC2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2c(F)cccc21
InChIInChI=1S/C16H10ClF2NO2/c17-12-8-9(18)4-5-10(12)15(16(21)22)20-7-6-11-13(19)2-1-3-14(11)20/h1-8,15H,(H,21,22)
InChIKeyVYBHDTFMQSUZFN-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid

2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid (PubChem CID 70560769) has the molecular formula C16H10ClF2NO2 and a molecular weight of 321.71 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid
PubChem CID70560769
Molecular FormulaC16H10ClF2NO2
Molecular Weight321.71 g/mol
Exact Mass321.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2c(F)cccc21
InChIInChI=1S/C16H10ClF2NO2/c17-12-8-9(18)4-5-10(12)15(16(21)22)20-7-6-11-13(19)2-1-3-14(11)20/h1-8,15H,(H,21,22)
InChIKeyVYBHDTFMQSUZFN-UHFFFAOYSA-N
XLogP4.25
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid (CID 70560769) is 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid is O=C(O)C(c1ccc(F)cc1Cl)n1ccc2c(F)cccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid?
The InChIKey is VYBHDTFMQSUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO2/c17-12-8-9(18)4-5-10(12)15(16(21)22)20-7-6-11-13(19)2-1-3-14(11)20/h1-8,15H,(H,21,22).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid?
2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid has a molecular weight of 321.71 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-(4-fluoroindol-1-yl)acetic acid is sourced from PubChem (CID 70560769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).