1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid

C12H14FNO2 — CID 81113053

IUPAC1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CCCF
InChIInChI=1S/C12H14FNO2/c13-6-3-7-14-10-5-2-1-4-9(10)8-11(14)12(15)16/h1-2,4-5,11H,3,6-8H2,(H,15,16)
InChIKeyWLFSEYXDBROGEX-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid

1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 81113053) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID81113053
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1CCCF
InChIInChI=1S/C12H14FNO2/c13-6-3-7-14-10-5-2-1-4-9(10)8-11(14)12(15)16/h1-2,4-5,11H,3,6-8H2,(H,15,16)
InChIKeyWLFSEYXDBROGEX-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566903
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
CID 130684080
1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566932
(2S)-1-[(2S)-2-amino-3-oxopropyl]-2,3-dihydroindole-2-carboxylic acid
CID 86739477
1-(1-propyl-2,3-dihydroindol-2-yl)ethanone
CID 115106307
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566850

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid (CID 81113053) is 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is WLFSEYXDBROGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-6-3-7-14-10-5-2-1-4-9(10)8-11(14)12(15)16/h1-2,4-5,11H,3,6-8H2,(H,15,16).
What are the key properties of 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid?
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 81113053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).