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

C17H11ClF3NO3 — CID 3263255

IUPAC2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2cccc(Cl)c2)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C17H11ClF3NO3/c18-10-3-1-2-9(6-10)16-13(8-15(23)24)12-7-11(25-17(19,20)21)4-5-14(12)22-16/h1-7,22H,8H2,(H,23,24)
InChIKeyRJVFTPOYTLFNFV-UHFFFAOYSA-N
MW369.73 g/mol
LogP5.01
Rot. Bonds4

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

2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid (PubChem CID 3263255) has the molecular formula C17H11ClF3NO3 and a molecular weight of 369.73 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
PubChem CID3263255
Molecular FormulaC17H11ClF3NO3
Molecular Weight369.73 g/mol
Exact Mass369.04
IUPAC Name2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2cccc(Cl)c2)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C17H11ClF3NO3/c18-10-3-1-2-9(6-10)16-13(8-15(23)24)12-7-11(25-17(19,20)21)4-5-14(12)22-16/h1-7,22H,8H2,(H,23,24)
InChIKeyRJVFTPOYTLFNFV-UHFFFAOYSA-N
XLogP5.01
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3967064
2-[2-(3-chlorophenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 4309109
2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 5178420
2-[5-butan-2-yl-2-(3-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 3539679
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(3-bromophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4037576
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882
2-[5-ethoxy-2-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 3916073
2-[5-butoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3948737
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
2-[5-bromo-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 4017002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid (CID 3263255) is 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2cccc(Cl)c2)[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
The InChIKey is RJVFTPOYTLFNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO3/c18-10-3-1-2-9(6-10)16-13(8-15(23)24)12-7-11(25-17(19,20)21)4-5-14(12)22-16/h1-7,22H,8H2,(H,23,24).
What are the key properties of 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid?
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid has a molecular weight of 369.73 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3263255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).