1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid

C13H12FNO2 — CID 105492323

IUPAC1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(F)c2n1CC1CC1
InChIInChI=1S/C13H12FNO2/c14-10-3-1-2-9-6-11(13(16)17)15(12(9)10)7-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,16,17)
InChIKeyXGGFQUMYKJXHLA-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.89
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid

1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid (PubChem CID 105492323) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
PubChem CID105492323
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
SMILESO=C(O)c1cc2cccc(F)c2n1CC1CC1
InChIInChI=1S/C13H12FNO2/c14-10-3-1-2-9-6-11(13(16)17)15(12(9)10)7-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,16,17)
InChIKeyXGGFQUMYKJXHLA-UHFFFAOYSA-N
XLogP2.89
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid
CID 82248878
[1-(cyclobutylmethyl)-7-fluoroindol-2-yl]methanamine
CID 105491326
1-(cyclobutylmethyl)-7-fluorobenzimidazole-2-carboxylic acid
CID 124926451
1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid
CID 151961405
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
CID 115107125
7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
1-(cyclopropylmethyl)-N-[(3R)-3-hydroxypentyl]indole-2-carboxamide
CID 124851434
1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82244422
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
1-(cyclohexylmethyl)-7-fluoroindazole-3-carboxylic acid
CID 68967350

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid (CID 105492323) is 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid is O=C(O)c1cc2cccc(F)c2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid?
The InChIKey is XGGFQUMYKJXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-10-3-1-2-9-6-11(13(16)17)15(12(9)10)7-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,16,17).
What are the key properties of 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid?
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid is sourced from PubChem (CID 105492323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).