1-(3-fluoropropyl)indole-2-carboxylic acid

C12H12FNO2 — CID 81113982

IUPAC1-(3-fluoropropyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1CCCF
InChIInChI=1S/C12H12FNO2/c13-6-3-7-14-10-5-2-1-4-9(10)8-11(14)12(15)16/h1-2,4-5,8H,3,6-7H2,(H,15,16)
InChIKeyLJDBUQCGHMPVOU-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-fluoropropyl)indole-2-carboxylic acid

1-(3-fluoropropyl)indole-2-carboxylic acid (PubChem CID 81113982) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)indole-2-carboxylic acid
PubChem CID81113982
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name1-(3-fluoropropyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2n1CCCF
InChIInChI=1S/C12H12FNO2/c13-6-3-7-14-10-5-2-1-4-9(10)8-11(14)12(15)16/h1-2,4-5,8H,3,6-7H2,(H,15,16)
InChIKeyLJDBUQCGHMPVOU-UHFFFAOYSA-N
XLogP2.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)indole-2-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)indole-2-carboxylic acid (CID 81113982) is 1-(3-fluoropropyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)indole-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)indole-2-carboxylic acid is O=C(O)c1cc2ccccc2n1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)indole-2-carboxylic acid?
The InChIKey is LJDBUQCGHMPVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-6-3-7-14-10-5-2-1-4-9(10)8-11(14)12(15)16/h1-2,4-5,8H,3,6-7H2,(H,15,16).
What are the key properties of 1-(3-fluoropropyl)indole-2-carboxylic acid?
1-(3-fluoropropyl)indole-2-carboxylic acid has a molecular weight of 221.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)indole-2-carboxylic acid is sourced from PubChem (CID 81113982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).