4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid

C18H14F3NO2 — CID 175395970

IUPAC4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid
SMILESO=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(F)ccc(F)c12
InChIInChI=1S/C18H14F3NO2/c19-11-6-4-10(5-7-11)17-12(2-1-3-15(23)24)16-13(20)8-9-14(21)18(16)22-17/h4-9,22H,1-3H2,(H,23,24)
InChIKeyJWNRCBIIWNXAJG-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.66
Rot. Bonds5

About 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid

4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid (PubChem CID 175395970) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid
PubChem CID175395970
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid
SMILESO=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(F)ccc(F)c12
InChIInChI=1S/C18H14F3NO2/c19-11-6-4-10(5-7-11)17-12(2-1-3-15(23)24)16-13(20)8-9-14(21)18(16)22-17/h4-9,22H,1-3H2,(H,23,24)
InChIKeyJWNRCBIIWNXAJG-UHFFFAOYSA-N
XLogP4.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-aminobutyl)-2-(4-fluorophenyl)-7-methyl-1H-indole-4-carboxylic acid
CID 3484461
3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propanoic acid
CID 171921907
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
CID 132992776
3-[5-ethoxycarbonyl-4-fluoro-2-(4-fluorophenyl)-1H-pyrrol-3-yl]propanoic acid
CID 169229962
4-(4-chloro-2,6-difluorophenyl)butanoic acid
CID 117341296
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 175850689
4-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]but-1-en-2-amine
CID 154961012
6-(4-fluorophenyl)hexanoic acid
CID 14739735
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
(2S)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2-hydroxypropanoic acid
CID 154961832
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
(4,7-difluoro-2-methyl-1H-indol-3-yl)methanamine
CID 105449673

Frequently Asked Questions

What is the IUPAC name of 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid?
The IUPAC name of 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid (CID 175395970) is 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid.
What is the SMILES notation for 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid?
The canonical SMILES for 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid is O=C(O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(F)ccc(F)c12.
What is the InChIKey of 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid?
The InChIKey is JWNRCBIIWNXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-11-6-4-10(5-7-11)17-12(2-1-3-15(23)24)16-13(20)8-9-14(21)18(16)22-17/h4-9,22H,1-3H2,(H,23,24).
What are the key properties of 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid?
4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid has a molecular weight of 333.31 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid is sourced from PubChem (CID 175395970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).