1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid

C16H10F3NO3 — CID 59626003

IUPAC1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20/h1-9H,(H,21,22)
InChIKeyWCRBVCFYHNQJFZ-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.23
Rot. Bonds3

About 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid

1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid (PubChem CID 59626003) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid
PubChem CID59626003
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20/h1-9H,(H,21,22)
InChIKeyWCRBVCFYHNQJFZ-UHFFFAOYSA-N
XLogP4.23
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid (CID 59626003) is 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid?
The InChIKey is WCRBVCFYHNQJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)23-13-4-2-12(3-5-13)20-8-7-10-9-11(15(21)22)1-6-14(10)20/h1-9H,(H,21,22).
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid?
1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid has a molecular weight of 321.25 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid is sourced from PubChem (CID 59626003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).