5,6-difluoro-1-propan-2-ylindole

C11H11F2N — CID 90162254

IUPAC5,6-difluoro-1-propan-2-ylindole
SMILESCC(C)n1ccc2cc(F)c(F)cc21
InChIInChI=1S/C11H11F2N/c1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14/h3-7H,1-2H3
InChIKeySNQPWCBEBSLUBB-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.50
Rot. Bonds1

About 5,6-difluoro-1-propan-2-ylindole

5,6-difluoro-1-propan-2-ylindole (PubChem CID 90162254) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 5,6-difluoro-1-propan-2-ylindole.

Molecular Properties

Compound Name5,6-difluoro-1-propan-2-ylindole
PubChem CID90162254
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name5,6-difluoro-1-propan-2-ylindole
SMILESCC(C)n1ccc2cc(F)c(F)cc21
InChIInChI=1S/C11H11F2N/c1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14/h3-7H,1-2H3
InChIKeySNQPWCBEBSLUBB-UHFFFAOYSA-N
XLogP3.50
TPSA4.93 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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-propan-2-ylindole?
The IUPAC name of 5,6-difluoro-1-propan-2-ylindole (CID 90162254) is 5,6-difluoro-1-propan-2-ylindole.
What is the SMILES notation for 5,6-difluoro-1-propan-2-ylindole?
The canonical SMILES for 5,6-difluoro-1-propan-2-ylindole is CC(C)n1ccc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-propan-2-ylindole?
The InChIKey is SNQPWCBEBSLUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14/h3-7H,1-2H3.
What are the key properties of 5,6-difluoro-1-propan-2-ylindole?
5,6-difluoro-1-propan-2-ylindole has a molecular weight of 195.21 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-propan-2-ylindole is sourced from PubChem (CID 90162254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).