6-fluoro-4,7-dimethyl-1H-indole

C10H10FN — CID 170176297

IUPAC6-fluoro-4,7-dimethyl-1H-indole
SMILESCc1cc(F)c(C)c2[nH]ccc12
InChIInChI=1S/C10H10FN/c1-6-5-9(11)7(2)10-8(6)3-4-12-10/h3-5,12H,1-2H3
InChIKeyVMQBJACPBRHLOP-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.92
Rot. Bonds

About 6-fluoro-4,7-dimethyl-1H-indole

6-fluoro-4,7-dimethyl-1H-indole (PubChem CID 170176297) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 6-fluoro-4,7-dimethyl-1H-indole.

Molecular Properties

Compound Name6-fluoro-4,7-dimethyl-1H-indole
PubChem CID170176297
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name6-fluoro-4,7-dimethyl-1H-indole
SMILESCc1cc(F)c(C)c2[nH]ccc12
InChIInChI=1S/C10H10FN/c1-6-5-9(11)7(2)10-8(6)3-4-12-10/h3-5,12H,1-2H3
InChIKeyVMQBJACPBRHLOP-UHFFFAOYSA-N
XLogP2.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
(-)-Agroclavine
CID 73484
Indole-3-acetonitrile
CID 351795

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,7-dimethyl-1H-indole?
The IUPAC name of 6-fluoro-4,7-dimethyl-1H-indole (CID 170176297) is 6-fluoro-4,7-dimethyl-1H-indole.
What is the SMILES notation for 6-fluoro-4,7-dimethyl-1H-indole?
The canonical SMILES for 6-fluoro-4,7-dimethyl-1H-indole is Cc1cc(F)c(C)c2[nH]ccc12.
What is the InChIKey of 6-fluoro-4,7-dimethyl-1H-indole?
The InChIKey is VMQBJACPBRHLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-6-5-9(11)7(2)10-8(6)3-4-12-10/h3-5,12H,1-2H3.
What are the key properties of 6-fluoro-4,7-dimethyl-1H-indole?
6-fluoro-4,7-dimethyl-1H-indole has a molecular weight of 163.19 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,7-dimethyl-1H-indole is sourced from PubChem (CID 170176297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).