6-fluoro-3-(3-methoxypropyl)-1H-indole

C12H14FNO — CID 91114487

IUPAC6-fluoro-3-(3-methoxypropyl)-1H-indole
SMILESCOCCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C12H14FNO/c1-15-6-2-3-9-8-14-12-7-10(13)4-5-11(9)12/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyCNQLPDIBJGZZOL-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.89
Rot. Bonds4

About 6-fluoro-3-(3-methoxypropyl)-1H-indole

6-fluoro-3-(3-methoxypropyl)-1H-indole (PubChem CID 91114487) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-fluoro-3-(3-methoxypropyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-(3-methoxypropyl)-1H-indole
PubChem CID91114487
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name6-fluoro-3-(3-methoxypropyl)-1H-indole
SMILESCOCCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C12H14FNO/c1-15-6-2-3-9-8-14-12-7-10(13)4-5-11(9)12/h4-5,7-8,14H,2-3,6H2,1H3
InChIKeyCNQLPDIBJGZZOL-UHFFFAOYSA-N
XLogP2.89
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(5-methoxypentyl)guanidine
CID 111888613
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methoxypropyl)-1H-indole?
The IUPAC name of 6-fluoro-3-(3-methoxypropyl)-1H-indole (CID 91114487) is 6-fluoro-3-(3-methoxypropyl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-(3-methoxypropyl)-1H-indole?
The canonical SMILES for 6-fluoro-3-(3-methoxypropyl)-1H-indole is COCCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-(3-methoxypropyl)-1H-indole?
The InChIKey is CNQLPDIBJGZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-15-6-2-3-9-8-14-12-7-10(13)4-5-11(9)12/h4-5,7-8,14H,2-3,6H2,1H3.
What are the key properties of 6-fluoro-3-(3-methoxypropyl)-1H-indole?
6-fluoro-3-(3-methoxypropyl)-1H-indole has a molecular weight of 207.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-methoxypropyl)-1H-indole is sourced from PubChem (CID 91114487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).