6-(difluoromethyl)-1-propan-2-ylindole

C12H13F2N — CID 90162024

IUPAC6-(difluoromethyl)-1-propan-2-ylindole
SMILESCC(C)n1ccc2ccc(C(F)F)cc21
InChIInChI=1S/C12H13F2N/c1-8(2)15-6-5-9-3-4-10(12(13)14)7-11(9)15/h3-8,12H,1-2H3
InChIKeyHWXSHQAPHUCKNO-UHFFFAOYSA-N
MW209.24 g/mol
LogP4.16
Rot. Bonds2

About 6-(difluoromethyl)-1-propan-2-ylindole

6-(difluoromethyl)-1-propan-2-ylindole (PubChem CID 90162024) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name6-(difluoromethyl)-1-propan-2-ylindole
PubChem CID90162024
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name6-(difluoromethyl)-1-propan-2-ylindole
SMILESCC(C)n1ccc2ccc(C(F)F)cc21
InChIInChI=1S/C12H13F2N/c1-8(2)15-6-5-9-3-4-10(12(13)14)7-11(9)15/h3-8,12H,1-2H3
InChIKeyHWXSHQAPHUCKNO-UHFFFAOYSA-N
XLogP4.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1-propan-2-ylindole?
The IUPAC name of 6-(difluoromethyl)-1-propan-2-ylindole (CID 90162024) is 6-(difluoromethyl)-1-propan-2-ylindole.
What is the SMILES notation for 6-(difluoromethyl)-1-propan-2-ylindole?
The canonical SMILES for 6-(difluoromethyl)-1-propan-2-ylindole is CC(C)n1ccc2ccc(C(F)F)cc21.
What is the InChIKey of 6-(difluoromethyl)-1-propan-2-ylindole?
The InChIKey is HWXSHQAPHUCKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c1-8(2)15-6-5-9-3-4-10(12(13)14)7-11(9)15/h3-8,12H,1-2H3.
What are the key properties of 6-(difluoromethyl)-1-propan-2-ylindole?
6-(difluoromethyl)-1-propan-2-ylindole has a molecular weight of 209.24 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1-propan-2-ylindole is sourced from PubChem (CID 90162024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).