3-ethyl-4,5-difluoro-1-methylindole

C11H11F2N — CID 126610746

IUPAC3-ethyl-4,5-difluoro-1-methylindole
SMILESCCc1cn(C)c2ccc(F)c(F)c12
InChIInChI=1S/C11H11F2N/c1-3-7-6-14(2)9-5-4-8(12)11(13)10(7)9/h4-6H,3H2,1-2H3
InChIKeyKDHMTGKCVMURIG-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.02
Rot. Bonds1

About 3-ethyl-4,5-difluoro-1-methylindole

3-ethyl-4,5-difluoro-1-methylindole (PubChem CID 126610746) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-ethyl-4,5-difluoro-1-methylindole.

Molecular Properties

Compound Name3-ethyl-4,5-difluoro-1-methylindole
PubChem CID126610746
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name3-ethyl-4,5-difluoro-1-methylindole
SMILESCCc1cn(C)c2ccc(F)c(F)c12
InChIInChI=1S/C11H11F2N/c1-3-7-6-14(2)9-5-4-8(12)11(13)10(7)9/h4-6H,3H2,1-2H3
InChIKeyKDHMTGKCVMURIG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-difluoro-1-methylindole?
The IUPAC name of 3-ethyl-4,5-difluoro-1-methylindole (CID 126610746) is 3-ethyl-4,5-difluoro-1-methylindole.
What is the SMILES notation for 3-ethyl-4,5-difluoro-1-methylindole?
The canonical SMILES for 3-ethyl-4,5-difluoro-1-methylindole is CCc1cn(C)c2ccc(F)c(F)c12.
What is the InChIKey of 3-ethyl-4,5-difluoro-1-methylindole?
The InChIKey is KDHMTGKCVMURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-3-7-6-14(2)9-5-4-8(12)11(13)10(7)9/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-4,5-difluoro-1-methylindole?
3-ethyl-4,5-difluoro-1-methylindole has a molecular weight of 195.21 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-difluoro-1-methylindole is sourced from PubChem (CID 126610746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).