3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid

C17H14FNO2 — CID 3550541

IUPAC3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)14(9-17(20)21)15-10-19-16-4-2-1-3-13(15)16/h1-8,10,14,19H,9H2,(H,20,21)
InChIKeyBFCAARZYQBUCRN-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.91
Rot. Bonds4

About 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid

3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid (PubChem CID 3550541) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
PubChem CID3550541
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)14(9-17(20)21)15-10-19-16-4-2-1-3-13(15)16/h1-8,10,14,19H,9H2,(H,20,21)
InChIKeyBFCAARZYQBUCRN-UHFFFAOYSA-N
XLogP3.91
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-yl)propanoic acid
CID 42656837
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
2-(1H-indol-3-yl)butanedioic acid
CID 588708
5-fluoro-3-(1H-indol-3-yl)pentanoic acid
CID 175501351
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 93110505
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
CID 50801399

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid (CID 3550541) is 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid is O=C(O)CC(c1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is BFCAARZYQBUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)14(9-17(20)21)15-10-19-16-4-2-1-3-13(15)16/h1-8,10,14,19H,9H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid?
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 283.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 3550541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).