4,6-difluoro-2-propan-2-yl-3H-indole

C11H11F2N — CID 146981672

IUPAC4,6-difluoro-2-propan-2-yl-3H-indole
SMILESCC(C)C1=Nc2cc(F)cc(F)c2C1
InChIInChI=1S/C11H11F2N/c1-6(2)10-5-8-9(13)3-7(12)4-11(8)14-10/h3-4,6H,5H2,1-2H3
InChIKeyAOKSWGKKOCXDNV-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.25
Rot. Bonds1

About 4,6-difluoro-2-propan-2-yl-3H-indole

4,6-difluoro-2-propan-2-yl-3H-indole (PubChem CID 146981672) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 4,6-difluoro-2-propan-2-yl-3H-indole.

Molecular Properties

Compound Name4,6-difluoro-2-propan-2-yl-3H-indole
PubChem CID146981672
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name4,6-difluoro-2-propan-2-yl-3H-indole
SMILESCC(C)C1=Nc2cc(F)cc(F)c2C1
InChIInChI=1S/C11H11F2N/c1-6(2)10-5-8-9(13)3-7(12)4-11(8)14-10/h3-4,6H,5H2,1-2H3
InChIKeyAOKSWGKKOCXDNV-UHFFFAOYSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-propan-2-yl-3H-indole?
The IUPAC name of 4,6-difluoro-2-propan-2-yl-3H-indole (CID 146981672) is 4,6-difluoro-2-propan-2-yl-3H-indole.
What is the SMILES notation for 4,6-difluoro-2-propan-2-yl-3H-indole?
The canonical SMILES for 4,6-difluoro-2-propan-2-yl-3H-indole is CC(C)C1=Nc2cc(F)cc(F)c2C1.
What is the InChIKey of 4,6-difluoro-2-propan-2-yl-3H-indole?
The InChIKey is AOKSWGKKOCXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-6(2)10-5-8-9(13)3-7(12)4-11(8)14-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 4,6-difluoro-2-propan-2-yl-3H-indole?
4,6-difluoro-2-propan-2-yl-3H-indole has a molecular weight of 195.21 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-propan-2-yl-3H-indole is sourced from PubChem (CID 146981672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).