6-(difluoromethoxy)-1-ethylindol-3-amine

C11H12F2N2O — CID 70844592

IUPAC6-(difluoromethoxy)-1-ethylindol-3-amine
SMILESCCn1cc(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C11H12F2N2O/c1-2-15-6-9(14)8-4-3-7(5-10(8)15)16-11(12)13/h3-6,11H,2,14H2,1H3
InChIKeyAPSSQYMAIQCMEE-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.84
Rot. Bonds3

About 6-(difluoromethoxy)-1-ethylindol-3-amine

6-(difluoromethoxy)-1-ethylindol-3-amine (PubChem CID 70844592) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1-ethylindol-3-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-1-ethylindol-3-amine
PubChem CID70844592
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name6-(difluoromethoxy)-1-ethylindol-3-amine
SMILESCCn1cc(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C11H12F2N2O/c1-2-15-6-9(14)8-4-3-7(5-10(8)15)16-11(12)13/h3-6,11H,2,14H2,1H3
InChIKeyAPSSQYMAIQCMEE-UHFFFAOYSA-N
XLogP2.84
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1-ethylindol-3-amine?
The IUPAC name of 6-(difluoromethoxy)-1-ethylindol-3-amine (CID 70844592) is 6-(difluoromethoxy)-1-ethylindol-3-amine.
What is the SMILES notation for 6-(difluoromethoxy)-1-ethylindol-3-amine?
The canonical SMILES for 6-(difluoromethoxy)-1-ethylindol-3-amine is CCn1cc(N)c2ccc(OC(F)F)cc21.
What is the InChIKey of 6-(difluoromethoxy)-1-ethylindol-3-amine?
The InChIKey is APSSQYMAIQCMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-2-15-6-9(14)8-4-3-7(5-10(8)15)16-11(12)13/h3-6,11H,2,14H2,1H3.
What are the key properties of 6-(difluoromethoxy)-1-ethylindol-3-amine?
6-(difluoromethoxy)-1-ethylindol-3-amine has a molecular weight of 226.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1-ethylindol-3-amine is sourced from PubChem (CID 70844592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).