4,5-difluoro-1-methylindole

C9H7F2N — CID 126599832

IUPAC4,5-difluoro-1-methylindole
SMILESCn1ccc2c(F)c(F)ccc21
InChIInChI=1S/C9H7F2N/c1-12-5-4-6-8(12)3-2-7(10)9(6)11/h2-5H,1H3
InChIKeyGXLCWLVBTDJLNU-UHFFFAOYSA-N
MW167.16 g/mol
LogP2.46
Rot. Bonds

About 4,5-difluoro-1-methylindole

4,5-difluoro-1-methylindole (PubChem CID 126599832) has the molecular formula C9H7F2N and a molecular weight of 167.16 g/mol. Its IUPAC name is 4,5-difluoro-1-methylindole.

Molecular Properties

Compound Name4,5-difluoro-1-methylindole
PubChem CID126599832
Molecular FormulaC9H7F2N
Molecular Weight167.16 g/mol
Exact Mass167.05
IUPAC Name4,5-difluoro-1-methylindole
SMILESCn1ccc2c(F)c(F)ccc21
InChIInChI=1S/C9H7F2N/c1-12-5-4-6-8(12)3-2-7(10)9(6)11/h2-5H,1H3
InChIKeyGXLCWLVBTDJLNU-UHFFFAOYSA-N
XLogP2.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-1-methylindol-5-yl)ethanamine
CID 96624175
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
CID 117346082
1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
CID 162389133
4-chloro-5-fluoro-1,6-dimethylindole
CID 126583354
4-iodo-1-methyl-5H-indol-5-ide;rutherfordium
CID 134844790
24-methyl-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,25]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(25),22,26-tridecaene
CID 168810962
4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol
CID 161409460
3-ethyl-4,5-difluoro-1-methylindole
CID 126610746
7,8-difluoro-2-methylisoquinolin-1-one
CID 176688064
5-[(4,6-difluoro-1-methylindol-5-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599193
4-chloro-1-methylindole;ethane
CID 142062846

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-methylindole?
The IUPAC name of 4,5-difluoro-1-methylindole (CID 126599832) is 4,5-difluoro-1-methylindole.
What is the SMILES notation for 4,5-difluoro-1-methylindole?
The canonical SMILES for 4,5-difluoro-1-methylindole is Cn1ccc2c(F)c(F)ccc21.
What is the InChIKey of 4,5-difluoro-1-methylindole?
The InChIKey is GXLCWLVBTDJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N/c1-12-5-4-6-8(12)3-2-7(10)9(6)11/h2-5H,1H3.
What are the key properties of 4,5-difluoro-1-methylindole?
4,5-difluoro-1-methylindole has a molecular weight of 167.16 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-methylindole is sourced from PubChem (CID 126599832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).