5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole

C13H12F5NO — CID 162007623

IUPAC5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole
SMILESCCc1c(OC(F)F)ccc2c1c(C(F)(F)F)cn2C
InChIInChI=1S/C13H12F5NO/c1-3-7-10(20-12(14)15)5-4-9-11(7)8(6-19(9)2)13(16,17)18/h4-6,12H,3H2,1-2H3
InChIKeyLNTVHZMRNDGGSA-UHFFFAOYSA-N
MW293.24 g/mol
LogP4.36
Rot. Bonds3

About 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole

5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole (PubChem CID 162007623) has the molecular formula C13H12F5NO and a molecular weight of 293.24 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole
PubChem CID162007623
Molecular FormulaC13H12F5NO
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC Name5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole
SMILESCCc1c(OC(F)F)ccc2c1c(C(F)(F)F)cn2C
InChIInChI=1S/C13H12F5NO/c1-3-7-10(20-12(14)15)5-4-9-11(7)8(6-19(9)2)13(16,17)18/h4-6,12H,3H2,1-2H3
InChIKeyLNTVHZMRNDGGSA-UHFFFAOYSA-N
XLogP4.36
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole?
The IUPAC name of 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole (CID 162007623) is 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole.
What is the SMILES notation for 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole?
The canonical SMILES for 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole is CCc1c(OC(F)F)ccc2c1c(C(F)(F)F)cn2C.
What is the InChIKey of 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole?
The InChIKey is LNTVHZMRNDGGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO/c1-3-7-10(20-12(14)15)5-4-9-11(7)8(6-19(9)2)13(16,17)18/h4-6,12H,3H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole?
5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole has a molecular weight of 293.24 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-ethyl-1-methyl-3-(trifluoromethyl)indole is sourced from PubChem (CID 162007623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).