6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole

C10H8F3N — CID 166888935

IUPAC6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole
SMILESCc1cc2cc(F)c(C(F)F)cc2[nH]1
InChIInChI=1S/C10H8F3N/c1-5-2-6-3-8(11)7(10(12)13)4-9(6)14-5/h2-4,10,14H,1H3
InChIKeyVYWVSFIFCYPRMT-UHFFFAOYSA-N
MW199.17 g/mol
LogP3.55
Rot. Bonds1

About 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole

6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole (PubChem CID 166888935) has the molecular formula C10H8F3N and a molecular weight of 199.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole
PubChem CID166888935
Molecular FormulaC10H8F3N
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole
SMILESCc1cc2cc(F)c(C(F)F)cc2[nH]1
InChIInChI=1S/C10H8F3N/c1-5-2-6-3-8(11)7(10(12)13)4-9(6)14-5/h2-4,10,14H,1H3
InChIKeyVYWVSFIFCYPRMT-UHFFFAOYSA-N
XLogP3.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole (CID 166888935) is 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole is Cc1cc2cc(F)c(C(F)F)cc2[nH]1.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole?
The InChIKey is VYWVSFIFCYPRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c1-5-2-6-3-8(11)7(10(12)13)4-9(6)14-5/h2-4,10,14H,1H3.
What are the key properties of 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole?
6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole has a molecular weight of 199.17 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoro-2-methyl-1H-indole is sourced from PubChem (CID 166888935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).