5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid

C15H18FNO2 — CID 65255255

IUPAC5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCn1ccc2cc(F)ccc21)C(=O)O
InChIInChI=1S/C15H18FNO2/c1-15(2,14(18)19)7-3-8-17-9-6-11-10-12(16)4-5-13(11)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyQOHRGCMSEREBDG-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.67
Rot. Bonds5

About 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid

5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid (PubChem CID 65255255) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid
PubChem CID65255255
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCn1ccc2cc(F)ccc21)C(=O)O
InChIInChI=1S/C15H18FNO2/c1-15(2,14(18)19)7-3-8-17-9-6-11-10-12(16)4-5-13(11)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyQOHRGCMSEREBDG-UHFFFAOYSA-N
XLogP3.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-(5-methylindol-1-yl)hexanoic acid
CID 106714189
4-(5-fluoroindol-1-yl)-1-phenylbutan-1-one
CID 63851293
4-indol-1-yl-2,2-dimethylbutanoic acid
CID 65248466
4-(5-fluoroindol-1-yl)-N-propylbutan-1-amine
CID 63852511
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
6-(6-fluoroindol-1-yl)hexan-2-one
CID 62025777
3-(5-chloroindol-1-yl)-2,2-dimethylpropanoic acid
CID 79628987
1-(5-cyano-5-methylhexyl)indole-5-carboxylic acid
CID 106713021
5-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116622885
3-(5-fluoroindol-1-yl)-2-methylpropanamide
CID 63850136
bis[(2R)-2-amino-1-(5-fluoroindol-1-yl)propan-2-yl] (E)-but-2-enedioate
CID 67737578
3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 63850949

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid?
The IUPAC name of 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid (CID 65255255) is 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid is CC(C)(CCCn1ccc2cc(F)ccc21)C(=O)O.
What is the InChIKey of 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid?
The InChIKey is QOHRGCMSEREBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-15(2,14(18)19)7-3-8-17-9-6-11-10-12(16)4-5-13(11)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid?
5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid has a molecular weight of 263.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65255255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).