2-(5-fluoro-1H-indol-3-yl)hexanoic acid

C14H16FNO2 — CID 67748915

IUPAC2-(5-fluoro-1H-indol-3-yl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C14H16FNO2/c1-2-3-4-10(14(17)18)12-8-16-13-6-5-9(15)7-11(12)13/h5-8,10,16H,2-4H2,1H3,(H,17,18)
InChIKeyPITPNCQEIFGJEX-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.67
Rot. Bonds5

About 2-(5-fluoro-1H-indol-3-yl)hexanoic acid

2-(5-fluoro-1H-indol-3-yl)hexanoic acid (PubChem CID 67748915) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)hexanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)hexanoic acid
PubChem CID67748915
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-(5-fluoro-1H-indol-3-yl)hexanoic acid
SMILESCCCCC(C(=O)O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C14H16FNO2/c1-2-3-4-10(14(17)18)12-8-16-13-6-5-9(15)7-11(12)13/h5-8,10,16H,2-4H2,1H3,(H,17,18)
InChIKeyPITPNCQEIFGJEX-UHFFFAOYSA-N
XLogP3.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
2-(5-amino-1H-indol-3-yl)butanoic acid
CID 57352783
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
2-(4-fluorophenyl)nonanoic acid
CID 79434490
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
4-(2,4-difluorophenyl)-2-(5-methoxy-1H-indol-3-yl)-4-oxobutanoic acid
CID 139328118
2-(4-fluorophenyl)heptanoic acid
CID 79435490
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
(3S,4S)-3-amino-4-(5-fluoro-1H-indol-3-yl)pentan-2-one
CID 122607429
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
(2R,3S)-3-(5-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 154809785

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)hexanoic acid?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)hexanoic acid (CID 67748915) is 2-(5-fluoro-1H-indol-3-yl)hexanoic acid.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)hexanoic acid?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)hexanoic acid is CCCCC(C(=O)O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)hexanoic acid?
The InChIKey is PITPNCQEIFGJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-3-4-10(14(17)18)12-8-16-13-6-5-9(15)7-11(12)13/h5-8,10,16H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)hexanoic acid?
2-(5-fluoro-1H-indol-3-yl)hexanoic acid has a molecular weight of 249.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)hexanoic acid is sourced from PubChem (CID 67748915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).