3-(1-fluoroethyl)-1-methylindol-4-ol

C11H12FNO — CID 84664633

IUPAC3-(1-fluoroethyl)-1-methylindol-4-ol
SMILESCC(F)c1cn(C)c2cccc(O)c12
InChIInChI=1S/C11H12FNO/c1-7(12)8-6-13(2)9-4-3-5-10(14)11(8)9/h3-7,14H,1-2H3
InChIKeyMPLLJRODIQPPLB-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.91
Rot. Bonds1

About 3-(1-fluoroethyl)-1-methylindol-4-ol

3-(1-fluoroethyl)-1-methylindol-4-ol (PubChem CID 84664633) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-methylindol-4-ol.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-methylindol-4-ol
PubChem CID84664633
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-(1-fluoroethyl)-1-methylindol-4-ol
SMILESCC(F)c1cn(C)c2cccc(O)c12
InChIInChI=1S/C11H12FNO/c1-7(12)8-6-13(2)9-4-3-5-10(14)11(8)9/h3-7,14H,1-2H3
InChIKeyMPLLJRODIQPPLB-UHFFFAOYSA-N
XLogP2.91
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1-methylindol-4-ol?
The IUPAC name of 3-(1-fluoroethyl)-1-methylindol-4-ol (CID 84664633) is 3-(1-fluoroethyl)-1-methylindol-4-ol.
What is the SMILES notation for 3-(1-fluoroethyl)-1-methylindol-4-ol?
The canonical SMILES for 3-(1-fluoroethyl)-1-methylindol-4-ol is CC(F)c1cn(C)c2cccc(O)c12.
What is the InChIKey of 3-(1-fluoroethyl)-1-methylindol-4-ol?
The InChIKey is MPLLJRODIQPPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7(12)8-6-13(2)9-4-3-5-10(14)11(8)9/h3-7,14H,1-2H3.
What are the key properties of 3-(1-fluoroethyl)-1-methylindol-4-ol?
3-(1-fluoroethyl)-1-methylindol-4-ol has a molecular weight of 193.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-methylindol-4-ol is sourced from PubChem (CID 84664633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).