2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid

C17H11F4NO3 — CID 118827528

IUPAC2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c12
InChIInChI=1S/C17H11F4NO3/c18-16-12(9-1-3-11(4-2-9)25-17(19,20)21)5-6-13-15(16)10(8-22-13)7-14(23)24/h1-6,8,22H,7H2,(H,23,24)
InChIKeyWUDGIPBPSOAHPZ-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid

2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid (PubChem CID 118827528) has the molecular formula C17H11F4NO3 and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
PubChem CID118827528
Molecular FormulaC17H11F4NO3
Molecular Weight353.27 g/mol
Exact Mass353.07
IUPAC Name2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c12
InChIInChI=1S/C17H11F4NO3/c18-16-12(9-1-3-11(4-2-9)25-17(19,20)21)5-6-13-15(16)10(8-22-13)7-14(23)24/h1-6,8,22H,7H2,(H,23,24)
InChIKeyWUDGIPBPSOAHPZ-UHFFFAOYSA-N
XLogP4.50
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
2-[2-oxo-3-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091656
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089210
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
CID 118807088
2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
CID 118833328
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid (CID 118827528) is 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid is O=C(O)Cc1c[nH]c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c12.
What is the InChIKey of 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid?
The InChIKey is WUDGIPBPSOAHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO3/c18-16-12(9-1-3-11(4-2-9)25-17(19,20)21)5-6-13-15(16)10(8-22-13)7-14(23)24/h1-6,8,22H,7H2,(H,23,24).
What are the key properties of 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid?
2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid has a molecular weight of 353.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 118827528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).