3-fluoro-2-methyl-5,6-dihydro-1H-indole

C9H10FN — CID 145311775

IUPAC3-fluoro-2-methyl-5,6-dihydro-1H-indole
SMILESCc1[nH]c2c(c1F)=CCCC=2
InChIInChI=1S/C9H10FN/c1-6-9(10)7-4-2-3-5-8(7)11-6/h4-5,11H,2-3H2,1H3
InChIKeyBERTXWIITNLDSD-UHFFFAOYSA-N
MW151.18 g/mol
LogP0.82
Rot. Bonds

About 3-fluoro-2-methyl-5,6-dihydro-1H-indole

3-fluoro-2-methyl-5,6-dihydro-1H-indole (PubChem CID 145311775) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name3-fluoro-2-methyl-5,6-dihydro-1H-indole
PubChem CID145311775
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name3-fluoro-2-methyl-5,6-dihydro-1H-indole
SMILESCc1[nH]c2c(c1F)=CCCC=2
InChIInChI=1S/C9H10FN/c1-6-9(10)7-4-2-3-5-8(7)11-6/h4-5,11H,2-3H2,1H3
InChIKeyBERTXWIITNLDSD-UHFFFAOYSA-N
XLogP0.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5,6-dihydro-1H-indole?
The IUPAC name of 3-fluoro-2-methyl-5,6-dihydro-1H-indole (CID 145311775) is 3-fluoro-2-methyl-5,6-dihydro-1H-indole.
What is the SMILES notation for 3-fluoro-2-methyl-5,6-dihydro-1H-indole?
The canonical SMILES for 3-fluoro-2-methyl-5,6-dihydro-1H-indole is Cc1[nH]c2c(c1F)=CCCC=2.
What is the InChIKey of 3-fluoro-2-methyl-5,6-dihydro-1H-indole?
The InChIKey is BERTXWIITNLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-9(10)7-4-2-3-5-8(7)11-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 3-fluoro-2-methyl-5,6-dihydro-1H-indole?
3-fluoro-2-methyl-5,6-dihydro-1H-indole has a molecular weight of 151.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5,6-dihydro-1H-indole is sourced from PubChem (CID 145311775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).