3-(2-fluoropropyl)-1H-indole

C11H12FN — CID 142409179

IUPAC3-(2-fluoropropyl)-1H-indole
SMILESCC(F)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H12FN/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3
InChIKeyQCORZPRKRCJAMG-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.07
Rot. Bonds2

About 3-(2-fluoropropyl)-1H-indole

3-(2-fluoropropyl)-1H-indole (PubChem CID 142409179) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-(2-fluoropropyl)-1H-indole.

Molecular Properties

Compound Name3-(2-fluoropropyl)-1H-indole
PubChem CID142409179
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name3-(2-fluoropropyl)-1H-indole
SMILESCC(F)Cc1c[nH]c2ccccc12
InChIInChI=1S/C11H12FN/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3
InChIKeyQCORZPRKRCJAMG-UHFFFAOYSA-N
XLogP3.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-(3-bromo-2-fluoropropyl)-1H-indole
CID 134163131
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
1-(1H-indol-3-yl)butan-2-amine
CID 8367
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366
CID 90360713
CID 90360713
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)-1H-indole?
The IUPAC name of 3-(2-fluoropropyl)-1H-indole (CID 142409179) is 3-(2-fluoropropyl)-1H-indole.
What is the SMILES notation for 3-(2-fluoropropyl)-1H-indole?
The canonical SMILES for 3-(2-fluoropropyl)-1H-indole is CC(F)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-fluoropropyl)-1H-indole?
The InChIKey is QCORZPRKRCJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 3-(2-fluoropropyl)-1H-indole?
3-(2-fluoropropyl)-1H-indole has a molecular weight of 177.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropyl)-1H-indole is sourced from PubChem (CID 142409179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).